SCHEMBL12377820

SCHEMBL12377820

Cc1cccc(-c2nn(C)c(=O)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
IL2 P60568 3/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 3/20 0.45
PBRM1 Q86U86 1/20 0.45
TDP2 O95551 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 2/20 0.41
TNF P01375 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 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
SCHEMBL2285490 0.83 NOTUM (0.54) NOTUMHPGDSMN1; SMN2IL2KDM4E
SCHEMBL2293084 0.83 NOTUM (0.54) NOTUMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL17206755 0.83 NOTUM (0.54) NOTUMNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL14007387 0.81 NOTUM (0.69) NOTUMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12377842 0.81 NPC1 (0.50) NOTUMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12377822 0.80 IL2 (0.49) NOTUMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12377823 0.80 NOTUM (0.49) NOTUMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12377829 0.80 GRIN1 (0.47) NOTUMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12377825 0.80 GRIN1 (0.47) NOTUMNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20323164 0.80 NOTUM (0.72) NOTUMNPC1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 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 (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-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS RYR2, RYR1, GABRR1 NOTUM 3543/4885NPC1 1168/4885RAB9A 3236/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D NOTUM 3182/4885NPC1 1132/4885RAB9A 2645/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 NOTUM 4113/4885NPC1 1274/4885RAB9A 3278/4885

“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.