SCHEMBL4258057

SCHEMBL4258057

COC(=O)c1cc(N)cc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
GAA P10253 4/20 0.42
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL30995649 0.82 CA12 (0.46) ACHEGAAKDM4EALDH1A1HSD17B10
SCHEMBL7677467 0.82 CA12 (0.46) ACHEGAAKDM4EALDH1A1HSD17B10
SCHEMBL30995655 0.81 ACHE (0.39) ACHEGAAKDM4EALDH1A1HSD17B10
SCHEMBL4260569 0.81 CXCR5 (0.39) ACHEKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7678090 0.81 CXCR5 (0.44) ACHEGAAKDM4EALDH1A1HSD17B10
SCHEMBL19124992 0.81 ACHE (0.39) ACHEGAAKDM4EALDH1A1HSD17B10
SCHEMBL11727975 0.80 KDM4E (0.43) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9470212 0.78 GAA (0.38) ACHEGAAKDM4EALDH1A1HSD17B10
SCHEMBL3440772 0.78 GRIA1 (0.51) GAAKDM4EALDH1A1KMT2A
SCHEMBL7680169 0.77 XDH (0.44) ACHEGAAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556311-B2 Polyimide precursor composition, article prepared by using same, and display device including the article SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-31 US disclosed
US-9556311-B2 Polyimide precursor composition, article prepared by using same, and display device including the article SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-31 US disclosed
US-20140024786-A1 POLYIMIDE PRECURSOR COMPOSITION, ARTICLE PREPARED BY USING SAME, AND DISPLAY DEVICE INCLUDING THE ARTICLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-01-23 US disclosed
US-20140024786-A1 POLYIMIDE PRECURSOR COMPOSITION, ARTICLE PREPARED BY USING SAME, AND DISPLAY DEVICE INCLUDING THE ARTICLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-01-23 US disclosed
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 ACHE 2872/4885GAA 2801/4885KDM4E 1321/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 ACHE 2275/4885GAA 1185/4885KDM4E 1236/4885

“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.