SCHEMBL162984

SCHEMBL162984

CCOc1[c]cc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 4/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
MAOB P27338 1/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR2A P28223 1/20 0.30
TACR2 P21452 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL159611 0.84 KMT2A (0.35) ALDH1A1POLBKDM4EMAPTGAA
SCHEMBL159607 0.82 SMN1; SMN2 (0.40) ALDH1A1HPGDTSHRGAAKMT2A
SCHEMBL9111454 0.80 PTPN1 (0.32)
SCHEMBL4833181 0.80 NR5A1 (0.40) TSHRSMN1; SMN2NPC1
SCHEMBL359290 0.79 HTR2C (0.35) ALDH1A1POLBKDM4ETSHRMAPT
SCHEMBL358613 0.79 KDM1A (0.38) ALDH1A1GAAMAOB
SCHEMBL4778258 0.78 SCN4A (0.35) ALDH1A1KDM4EMAPT
SCHEMBL4780261 0.78 SCN4A (0.35) ALDH1A1KDM4EMAPT
SCHEMBL358869 0.77 KDM4E (0.36) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL1207463 0.77 NQO1 (0.37) NQO1ALDH1A1HPGDPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP claimed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP claimed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-12 US claimed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP claimed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP claimed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US claimed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
EP-0224687-B1 METAL COMPLEX PIGMENTS BAYER AG (DE) 1989-08-02 EP claimed

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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885ALDH1A1 1273/4885HPGD 321/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885ALDH1A1 1273/4885HPGD 321/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885ALDH1A1 994/4885HPGD 173/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 NQO1 957/4885ALDH1A1 731/4885HPGD 1222/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NQO1 3/4885ALDH1A1 994/4885HPGD 173/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB NQO1 911/4885ALDH1A1 583/4885HPGD 514/4885
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A NQO1 147/4885ALDH1A1 417/4885HPGD 374/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA NQO1 435/4885ALDH1A1 829/4885HPGD 487/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A NQO1 147/4885ALDH1A1 417/4885HPGD 374/4885

“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.