SCHEMBL15216422

SCHEMBL15216422

Cc1cccc(C(=O)Nc2cnc(Br)cn2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
TP53 P04637 3/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 3/20 0.50
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 4/20 0.47
RXFP1 Q9HBX9 2/20 0.46
XBP1 P17861 1/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HSD17B10 Q99714 3/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 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
SCHEMBL15206208 0.90 NPC1 (0.70) NPC1RAB9ATP53MAPK1HTT
SCHEMBL23175657 0.80 STIM1 (0.54) NPC1RAB9ATP53MAPK1HTT
SCHEMBL29780014 0.80 STIM1 (0.54) NPC1RAB9ATP53MAPK1HTT
SCHEMBL13727732 0.79 NPC1 (0.49) NPC1RAB9ATP53MAPK1HTT
SCHEMBL14893401 0.79 SMN1; SMN2 (0.49) NPC1RAB9ATP53MAPK1ALDH1A1
SCHEMBL15205269 0.78 NPC1 (0.62) NPC1RAB9ATP53MAPK1HTT
SCHEMBL5231102 0.78 HCAR3 (0.61) NPC1RAB9ATP53MAPK1HTT
SCHEMBL5234752 0.77 RAB9A (0.56) NPC1RAB9ATP53MAPK1HTT
SCHEMBL27474427 0.77 NPC1 (0.63) NPC1RAB9ATP53MAPK1HTT
SCHEMBL26165534 0.74 KDR (0.55) NPC1RAB9ATP53MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2019-05-21 US disclosed
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2019-05-21 US disclosed
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
EP-3067347-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS Lupin Limited (IN) 2016-09-14 EP disclosed
EP-3067347-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS Lupin Limited (IN) 2016-09-14 EP disclosed
EP-2632906-B1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2016-04-06 EP disclosed
EP-2632906-B1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2016-04-06 EP disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 US disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 US disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 US disclosed
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-08-29 US 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-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS RYR2, RYR1, GABRR1 NPC1 1168/4885RAB9A 3236/4885TP53 4850/4885
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators RYR2, RYR1, ADRA2C NPC1 1260/4885RAB9A 3213/4885TP53 4845/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 NPC1 1274/4885RAB9A 3278/4885TP53 4847/4885
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 NPC1 1274/4885RAB9A 3278/4885TP53 4847/4885

“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.