SCHEMBL802210

SCHEMBL802210

Cc1ccsc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 5/20 0.34
GSK3B P49841 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2B6 P20813 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 2/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
FFAR1 O14842 1/20 0.31
TSHR P16473 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3234536 0.82 NPC1 (0.37) PKMNPC1RAB9AATML3MBTL1
SCHEMBL19862530 0.82 NPC1 (0.37) PKMNPC1RAB9AATML3MBTL1
SCHEMBL20909675 0.80 NPC1 (0.35) PKMNPC1RAB9AATML3MBTL1
SCHEMBL22733836 0.80 CYP2A6 (0.36) PKMNPC1RAB9AATML3MBTL1
SCHEMBL12161061 0.77 NPC1 (0.37) PKMNPC1RAB9AATML3MBTL1
SCHEMBL13868022 0.77 RIPK1 (0.39) PKMNPC1RAB9AATML3MBTL1
SCHEMBL11539034 0.77 GSK3B (0.38) PKMNPC1RAB9AGSK3BRIPK1
SCHEMBL23328657 0.75
SCHEMBL9577296 0.75 GSK3B (0.37) PKMNPC1RAB9AATML3MBTL1
SCHEMBL16254998 0.75 NPC1 (0.36) PKMNPC1RAB9AATML3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2023-12-14 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230330249-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF GENENTECH, INC. (US) 2023-10-19 US disclosed
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ALLCRON PHARMA INC. (US) 2023-07-11 US disclosed
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-20230143449-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-11 US disclosed
US-20230020526-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-01-19 US disclosed
US-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE SAINT LOUIS UNIVERSITY 2022-07-14 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 US disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070219246-A1 Dihydrobenzothiophenes MERCK PATENT GMBH (DE) 2007-09-20 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
WO-2007009717-A1 PYRAZOLE-4- CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE ADORA3, ADORA2A, ADORA1 PKM 3599/4885NPC1 490/4885RAB9A 2683/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH PKM 3517/4885NPC1 723/4885RAB9A 1377/4885
US-20230020526-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RO60, RPS10, SOD1 PKM 2843/4885NPC1 4794/4885RAB9A 698/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 PKM 3069/4885NPC1 4/4885RAB9A 4606/4885
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides CD14, FPR1, FPR2 PKM 1570/4885NPC1 1037/4885RAB9A 2152/4885
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 PKM 1249/4885NPC1 2532/4885RAB9A 1372/4885
US-20230143449-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 PKM 1702/4885NPC1 2645/4885RAB9A 1432/4885
US-20230330249-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF ADRM1, CD79B, BRDT PKM 3290/4885NPC1 2355/4885RAB9A 2598/4885
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ABL1, MCL1, ABL2 PKM 1036/4885NPC1 2652/4885RAB9A 1621/4885
US-20070219246-A1 Dihydrobenzothiophenes CCNT1, CCNT2, TPT1 PKM 3618/4885NPC1 3392/4885RAB9A 2614/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 PKM 2458/4885NPC1 4479/4885RAB9A 2572/4885
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 PKM 1892/4885NPC1 1858/4885RAB9A 1838/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 PKM 2859/4885NPC1 4221/4885RAB9A 2374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.