SCHEMBL68535

SCHEMBL68535

Cn1ncc(C(=O)O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ NR4A3 Q92570 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL19166978 0.88 ALDH1A1 (0.45) PDE10AKDM4EALDH1A1TDP1KMT2A
SCHEMBL1458362 0.86 RIPK2 (0.41) KDM4EALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL16220978 0.86 ALDH1A1 (0.40) PDE10AKDM4EALDH1A1TDP1NR4A3
SCHEMBL16212146 0.84 ALDH1A1 (0.40) PDE10AKDM4EALDH1A1TDP1NR4A3
SCHEMBL9105724 0.83 CYP1A2 (0.48) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL1458251 0.83 PDE10A (0.44) PDE10AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL9926248 0.81 KDM4E (0.38) PDE10AKDM4EALDH1A1TDP1NR4A3
SCHEMBL1458264 0.79 CYP2C9 (0.47) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL9106126 0.79 POLB (0.49) PDE10APOLB
SCHEMBL1458454 0.79 ALDH1A1 (0.49) KDM4EALDH1A1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104540807-B For the method preparing pyrazole carboxylic acid derivant 霍夫曼-拉罗奇有限公司 2016-09-14 — — CN disclosed
EP-2885276-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-06-01 — — EP disclosed
CN-104540807-A Process for the preparation of pyrazole carboxylic acid derivatives HOFFMANN LA ROCHE 2015-04-22 — — CN disclosed
CN-102791714-B N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors HOFFMANN LA ROCHE 2015-03-25 — — CN disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 — — EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 — — US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 — — US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 — — US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 — — 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 (1 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 PDE10A 2818/4885KDM4E 717/4885ALDH1A1 1882/4885

“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.

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