SCHEMBL1052254

SCHEMBL1052254

[CH2]c1nc2ccccc2n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
ATM Q13315 1/20 0.57
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 6/20 0.49
PKM P14618 5/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
CASP6 P55212 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1171430 0.77 MEN1 (0.69) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL353890 0.76 SMN1; SMN2 (0.63) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL1053419 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL28612587 0.75 POLB (0.65) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
Bromide SCHEMBL5318089 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL3193689 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
Ammonia Solution, Strong SCHEMBL19182582 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL13483305 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL149707 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4EALDH1A1RAB9A
SCHEMBL179064 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US claimed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
CN-113226037-A Metal complexes for promoting the growth of photosynthetic organisms 帝国理工学院创新有限公司 2021-08-06 CN disclosed
EP-2966067-B1 OXAZEPINES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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 (5 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 SMN1; SMN2 1149/4885ATM 1110/4885KDM4E 3267/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SMN1; SMN2 289/4885ATM 2749/4885KDM4E 4619/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885ATM 3519/4885KDM4E 3510/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 SMN1; SMN2 272/4885ATM 2833/4885KDM4E 4646/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SMN1; SMN2 289/4885ATM 2749/4885KDM4E 4619/4885

“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.