SCHEMBL1542776

SCHEMBL1542776

O=C1C(Br)CCN1Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX12 P18054 1/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL16885930 0.90 GAA (0.43) ALDH1A1KDM4EERCC1ERCC4GRM2
SCHEMBL8564966 0.85 ALDH1A1 (0.53) ALDH1A1
SCHEMBL16874550 0.85 KCNH2 (0.51) MEN1KMT2A
SCHEMBL8564961 0.85 ALDH1A1 (0.53) ALDH1A1
SCHEMBL8564264 0.85 DDB1 (0.50) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL8564268 0.85 DDB1 (0.50) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL16885926 0.82 ALDH1A1 (0.43) ALDH1A1KDM4E
SCHEMBL8560210 0.81 KDM4E (0.54) ALDH1A1KDM4ESIGMAR1
SCHEMBL8560205 0.81 KDM4E (0.54) ALDH1A1KDM4ESIGMAR1
SCHEMBL16874845 0.81 TEAD1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 US disclosed
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-20180000807-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-01-04 US disclosed
US-20170258777-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
US-20170258777-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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 (10 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-20180000807-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 ALDH1A1 172/4885KDM4E 3753/4885ERCC1 4125/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885KDM4E 4042/4885ERCC1 4489/4885

“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.