SCHEMBL9966945

SCHEMBL9966945

CCOc1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.44
LOX P28300 1/20 0.44
LOXL3 P58215 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NFKB1 P19838 1/20 0.39
TTK P33981 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL9966947 0.84 RECQL (0.41) KMT2ARECQLLOXLOXL3LOXL2
SCHEMBL12888186 0.82 CYP2D6 (0.49) KMT2ACYP3A4CYP19A1NPC1KDM4E
SCHEMBL27032950 0.80 RECQL (0.41) KMT2ARECQLLOXLOXL3LOXL2
SCHEMBL729149 0.79 MAOA (0.44) RECQLLOXLOXL3LOXL2TDP1
SCHEMBL28967015 0.79 MAOA (0.44) RECQLLOXLOXL3LOXL2NPC1
SCHEMBL31543475 0.79 MAOA (0.44) RECQLLOXLOXL3LOXL2TDP1
SCHEMBL29169164 0.79 RECQL (0.40) RECQLLOXLOXL3LOXL2CYP11B1
SCHEMBL29792641 0.78
SCHEMBL287199 0.78
SCHEMBL4607848 0.78 CCR1 (0.61) NQO1KMT2ATP53CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-18 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-06 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
CN-114478366-A Pyridone derivative and application thereof in medicine 海思科医药集团股份有限公司 2022-05-13 CN disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
WO-2013107761-A1 SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION NEUROLOGICAL AND PSYCHIATRIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 WO disclosed
WO-2013107761-A1 SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION NEUROLOGICAL AND PSYCHIATRIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 WO disclosed
US-20130184248-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130184248-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130184248-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 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 (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-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NQO1 2251/4885KMT2A 4180/4885RECQL 2633/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NQO1 2251/4885KMT2A 4180/4885RECQL 2633/4885
US-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R NQO1 1601/4885KMT2A 1658/4885RECQL 2302/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 NQO1 423/4885KMT2A 3976/4885RECQL 1631/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NQO1 1496/4885KMT2A 4497/4885RECQL 4433/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NQO1 2251/4885KMT2A 4180/4885RECQL 2633/4885
US-20130184248-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 NQO1 3105/4885KMT2A 1443/4885RECQL 2673/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NQO1 1496/4885KMT2A 4497/4885RECQL 4433/4885

“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.