SCHEMBL3753027

SCHEMBL3753027

COc1c(Cl)cc(C)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
TAS1R2 Q8TE23 3/20 0.42
TPMT P51580 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DBH P09172 1/20 0.37
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL13256220 0.87 ACHE (0.46) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL10196055 0.85 ACHE (0.70) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL12216295 0.84 ACHE (0.43) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL442742 0.81 ALDH1A1 (0.44) MAPTHPGDL3MBTL1MAPK1ALDH1A1
SCHEMBL54507 0.80 KMT2A (0.47) MAPTHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL12325399 0.80 ALDH1A1 (0.47) ACHEHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL8430640 0.78 ALDH1A1 (0.53) HPGDALDH1A1KDM4EGAATAS1R3
SCHEMBL14417407 0.78 ALDH1A1 (0.41) ACHEMAPTHPGDL3MBTL1MAPK1
SCHEMBL1387190 0.76 ALDH1A1 (0.44) ACHEHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL17110036 0.76 ALDH1A1 (0.44) ACHEHPGDL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273139-A1 2-PYRIDONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KPC Pharmaceuticals, Inc. (CN) 2023-11-08 EP disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-20210147351-A9 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-20200140381-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-07 US disclosed
EP-2916840-B1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS NUCORION PHARMACEUTICALS INC (US) 2017-11-01 EP disclosed
US-9744186-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
WO-2017143230-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-24 WO disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 US disclosed
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2016-12-08 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
US-20080076792-A1 Heterobifunctional Polymeric Bioconjugates ENZON PHARMACEUTICALS, INC. (US) 2008-03-27 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
CN-1305454-A Anthranilic acid derivatives as inhibitors of CGMP phosphodiesterase FUJISAWA PHARMACEUTICAL CO (JP) 2001-07-25 CN disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 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 (8 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-20210147351-A9 ANTIFUNGAL COMPOUNDS AND USES THEREOF ERG28, DPM1, CYP51A1 ACHE 2706/4885MAPT 950/4885HPGD 1479/4885
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A ACHE 185/4885MAPT 4706/4885HPGD 76/4885
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide DDT, ACHE, SIRT4 ACHE 2/4885MAPT 2367/4885HPGD 3073/4885
US-20080076792-A1 Heterobifunctional Polymeric Bioconjugates PAICS, FCGR3B, FCGR2A ACHE 1085/4885MAPT 2550/4885HPGD 1751/4885
US-20200140381-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF ERG28, DPM1, CYP51A1 ACHE 2706/4885MAPT 950/4885HPGD 1479/4885
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ACHE 3588/4885MAPT 4860/4885HPGD 379/4885
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS KRAS, NRAS, GMNN ACHE 3445/4885MAPT 3845/4885HPGD 3799/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 ACHE 3906/4885MAPT 1019/4885HPGD 311/4885

“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.