SCHEMBL15527872

SCHEMBL15527872

O=C(Nc1c(F)cccc1F)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 1/20 0.54
HDAC1 Q13547 1/20 0.54
PDE4D Q08499 1/20 0.52
OGG1 O15527 1/20 0.48
KCNJ11 Q14654 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
POLB P06746 1/20 0.47
MAPK14 Q16539 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7363838 0.83 KMT2A (0.59) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL16321463 0.83 CYP11B1 (0.53) TP53RAB9ANPC1MAPK1KMT2A
SCHEMBL28954065 0.81 RAB9A (0.71) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL30240066 0.81 RAB9A (0.71) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3599836 0.81 HDAC1 (0.47) TP53RAB9ANPC1MAPK1KMT2A
SCHEMBL3599830 0.80 HDAC1 (0.46) TP53RAB9ANPC1MAPK1KMT2A
SCHEMBL14893346 0.79 ALDH1A1 (0.63) RAB9ANPC1MAPK1KMT2AMEN1
SCHEMBL3599833 0.79 MEN1 (0.46) TP53RAB9ANPC1MAPK1KMT2A
SCHEMBL2149170 0.79 MEN1 (0.46) TP53RAB9ANPC1MAPK1KMT2A
SCHEMBL14893327 0.78 ALDH1A1 (0.54) RAB9ANPC1KMT2AMEN1ALDH1A1

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-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 US disclosed
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
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-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
EP-3013810-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS Lupin Limited (IN) 2016-05-04 EP disclosed
EP-3010586-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2016-04-27 EP 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-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 WO disclosed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 WO disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 WO disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 WO 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 (3 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 TP53 4101/4885RAB9A 963/4885NPC1 954/4885
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E TP53 3651/4885RAB9A 1720/4885NPC1 1879/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 TP53 4101/4885RAB9A 963/4885NPC1 954/4885

“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.