SCHEMBL2706413

SCHEMBL2706413

CC(C)(C)c1ccc2oc(C(C)(C)C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
FBP1 P09467 2/20 0.45
LMNA P02545 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
F2RL3 Q96RI0 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ELANE P08246 1/20 0.41
CNR2 P34972 5/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PON1 P27169 1/20 0.36

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
SCHEMBL11929993 0.88 NPC1 (0.42) NPC1RAB9AGFERFBP1LMNA
SCHEMBL30524320 0.86 NPC1 (0.44) NPC1RAB9AGFERFBP1LMNA
SCHEMBL2704182 0.85 LMNA (0.44) NPC1RAB9AGFERLMNAF2RL3
SCHEMBL18174916 0.85 F2RL3 (0.46) NPC1RAB9AGFERFBP1LMNA
SCHEMBL18174920 0.85 F2RL3 (0.44) NPC1RAB9AGFERFBP1LMNA
SCHEMBL4399183 0.81 L3MBTL1 (0.53) NPC1RAB9AGFERFBP1LMNA
SCHEMBL12301097 0.81 RAB9A (0.54) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL22326624 0.81 NPC1 (0.56) NPC1RAB9AGFERLMNAF2RL3
SCHEMBL23095285 0.80 NPC1 (0.48) NPC1RAB9AGFERFBP1TRPV1
SCHEMBL179531 0.80 MAPT (0.56) NPC1RAB9AGFERFBP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671969-B Polystyrene scintillating particles and preparation method thereof 中国辐射防护研究院 2024-04-12 CN disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
WO-2022259933-A1 PHOTOSENSITIVE RESIN COMPOSITION, RESIN FILM, ELECTRONIC DEVICE, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE 住友ベークライト株式会社 2022-12-15 WO disclosed
CN-113264895-B Synthetic method for preparing benzoxazole compound from catechol compound and amine compound 湖南第一师范学院 2022-03-25 CN disclosed
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
CN-113264895-A Synthetic method for preparing benzoxazole compound from catechol compound and amine compound 湖南第一师范学院 2021-08-17 CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO disclosed
US-20210015940-A1 HUMANIZED ANTI-PROSTATE -SPECIFIC MEMBRANE ANTIGEN (PSMA) ANTIBODY DRUG CONJUGATES AMBRX, INC. (US) 2021-01-21 US disclosed
WO-2020054644-A1 PERMANENT FILM-FORMING PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELECTRONIC DEVICE, CURED FILM PRODUCTION METHOD, AND ELECTRONIC DEVICE MANUFACTURING METHOD 住友ベークライト株式会社 2020-03-19 WO disclosed
US-20200030442-A1 COMBINATION THERAPIES CAO ZHU ALEXANDER (US) 2020-01-30 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
US-20070118937-A1 Copolymerization and copolymers of aromatic polymers with carbon nanotubes and products made therefrom WILLIAM MARSH RICE UNIVERSITY (US) 2007-05-24 US 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 (9 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 NPC1 2815/4885RAB9A 1213/4885GFER 739/4885
US-20200030442-A1 COMBINATION THERAPIES BRCA1, TP53, VHL NPC1 797/4885RAB9A 3050/4885GFER 4576/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885GFER 137/4885
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 NPC1 1695/4885RAB9A 3016/4885GFER 3118/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 NPC1 1482/4885RAB9A 3131/4885GFER 3942/4885
US-20210015940-A1 HUMANIZED ANTI-PROSTATE -SPECIFIC MEMBRANE ANTIGEN (PSMA) ANTIBODY DRUG CONJUGATES FOLH1, KLK3, PSMA6 NPC1 320/4885RAB9A 1378/4885GFER 3786/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA NPC1 1221/4885RAB9A 245/4885GFER 3133/4885
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS ALK, CBR3, CBR1 NPC1 2023/4885RAB9A 3922/4885GFER 454/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885GFER 137/4885

“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.