SCHEMBL903659

SCHEMBL903659

CNNc1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
GAA P10253 4/20 0.61
MAPT P10636 4/20 0.61
NPC1 O15118 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
NR4A1 P22736 1/20 0.50
HPGD P15428 1/20 0.50

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
Hydrochloric Acid SCHEMBL6232337 0.98 GAA (0.58) RAB9AGAAMAPTNPC1L3MBTL1
Iodide SCHEMBL28658046 0.98 RAB9A (0.58) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL851498 0.87 RAB9A (0.70) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL29278379 0.81 IDO1 (0.64) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL161436 0.79 RAB9A (0.67) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL3967781 0.78 ACHE (0.71) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL4909838 0.78 CYP1A2 (0.62) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL27944472 0.78 RAB9A (0.58) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL8359254 0.78 MAPT (0.58) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL8581249 0.78 GAA (0.58) RAB9AGAAMAPTNPC1L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021147302-A1 INTERMEDIATE OF APIXABAN AND PREPARATION METHOD THEREFOR 浙江九洲药业股份有限公司 2021-07-29 WO disclosed
WO-2017187245-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN OPTIMUS DRUGS (P) LIMITED (IN) 2017-11-02 WO disclosed
EP-3147283-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR North China Pharmaceutical Company., Ltd. (CN) 2017-03-29 EP disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040924-A1 FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
EP-1988777-B1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2011-09-21 EP disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 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 (1 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-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 RAB9A 2112/4885GAA 1144/4885MAPT 414/4885

“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.