SCHEMBL2174834

SCHEMBL2174834

O=C(O)/C(Cl)=N\Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.54
CA1 P00915 3/20 0.54
CA4 P22748 3/20 0.54
CA7 P43166 2/20 0.54
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALOX12 P18054 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 3/20 0.46
GFER P55789 2/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 3/20 0.45
KYAT1 Q16773 1/20 0.43

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
SCHEMBL2174838 1.00 CA2 (0.54) CA2CA1CA4CA7MAPT
SCHEMBL3941336 0.84 CA1 (0.53) CA2CA1CA4CA7MAPT
SCHEMBL20893356 0.84 CA1 (0.53) CA2CA1CA4CA7MAPT
SCHEMBL3941339 0.84 CA1 (0.53) CA2CA1CA4CA7MAPT
SCHEMBL11765765 0.83 CA1 (0.55) CA2CA1CA4CA7MAPT
SCHEMBL21071281 0.83 CA1 (0.55) CA2CA1CA4CA7MAPT
SCHEMBL19643179 0.83 CA1 (0.55) CA2CA1CA4CA7MAPT
SCHEMBL9068333 0.83 CA1 (0.52) CA2CA1CA4CA7MAPT
SCHEMBL29204442 0.83 CA1 (0.55) CA2CA1CA4CA7MAPT
SCHEMBL15047078 0.83 CA1 (0.52) CA2CA1CA4CA7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2017-06-01 US disclosed
US-9603846-B2 Process for the preparation of apixaban CADILA HEALTHCARE LIMITED (IN) 2017-03-28 US disclosed
US-20160143894-A1 PROCESS FOR THE PREPARATION OF APIXABAN CADILA HEALTHCARE LIMITED (IN) 2016-05-26 US disclosed
US-20160113912-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2016-04-28 US disclosed
WO-2014203275-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2014-12-24 WO disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 CA2 323/4885CA1 240/4885CA4 269/4885
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 CA2 1612/4885CA1 3235/4885CA4 1218/4885
US-20160143894-A1 PROCESS FOR THE PREPARATION OF APIXABAN CYP4X1, CYP4B1, NPPA CA2 741/4885CA1 693/4885CA4 316/4885
US-20160113912-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, F12 CA2 433/4885CA1 1365/4885CA4 238/4885

“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.