SCHEMBL15528472

SCHEMBL15528472

CCOC(=O)c1cc(Br)c[n+]([O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
NHERF1 O14745 1/20 0.46
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B2 P37059 1/20 0.40

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
SCHEMBL1505512 0.83 NOTUM (0.46) CA1CA2CA12CA7CA9
SCHEMBL2581157 0.76 CYP1A2 (0.39) LMNACYP1A2CYP2C9GAAKMT2A
SCHEMBL10180584 0.76 CA12 (0.64) CA1CA2CA12CA7CA9
SCHEMBL2712707 0.76 CA12 (0.64) CA1CA2CA12CA7CA9
SCHEMBL17362634 0.75 CYP3A4 (0.40) CA1CA2CA12CA7CA9
SCHEMBL30716450 0.73 HPGD (0.47) LMNACYP1A2KMT2ANPC1HPGD
SCHEMBL4862698 0.73 GLA (0.57) CA1CA2CA12CA7CA9
SCHEMBL17362483 0.73 CYP4F2 (0.44) CA1CA2CA12CA7CA9
SCHEMBL17362838 0.73 ALOX5 (0.38) CA1CA2CA12CA7CA9
SCHEMBL1505672 0.72 KDM4E (0.50) CA1CA2CA9LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
EP-2844655-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164769-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 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 (2 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-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CA1 1080/4885CA2 86/4885CA12 2850/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CA1 1080/4885CA2 86/4885CA12 2850/4885

“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.