SCHEMBL6939619

SCHEMBL6939619

COc1nnc(Cl)c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C19 P33261 1/20 0.75
GOT1 P17174 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL2724218 0.87 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL29365992 0.79 GOT1 (0.62) ALDH1A1CYP1A2GOT1SMN1; SMN2NPC1
SCHEMBL345211 0.79 GOT1 (0.62) ALDH1A1CYP1A2GOT1SMN1; SMN2NPC1
SCHEMBL1688224 0.79 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19GOT1SMN1; SMN2
SCHEMBL15158687 0.79 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19GOT1SMN1; SMN2
SCHEMBL6939703 0.79 MAPT (0.47) ALDH1A1CYP1A2CYP2C19GOT1SMN1; SMN2
SCHEMBL3393453 0.77 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19GOT1RAB9A
SCHEMBL12215453 0.77 ALDH1A1 (0.78) ALDH1A1CYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL27758703 0.77 GOT1 (0.60) ALDH1A1CYP1A2GOT1SMN1; SMN2NPC1
SCHEMBL16295195 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
EP-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed
EP-1058681-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME Seoul Pharm. Co., Ltd. (KR) 2000-12-13 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed
WO-1999036407-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM. CO., LTD. (KR) 1999-07-22 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 (4 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ALDH1A1 3399/4885CYP1A2 2856/4885CYP2C19 3390/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ALDH1A1 3072/4885CYP1A2 2837/4885CYP2C19 3450/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 ALDH1A1 3218/4885CYP1A2 1794/4885CYP2C19 2333/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 ALDH1A1 3127/4885CYP1A2 1813/4885CYP2C19 2121/4885

“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.