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
SCHEMBL1458251 0.83 PDE10A (0.44) PDE10AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL9105724 0.83 CYP1A2 (0.48) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL9926248 0.81 KDM4E (0.38) PDE10AKDM4EALDH1A1TDP1NR4A3
SCHEMBL9106126 0.79 POLB (0.49) PDE10APOLB
SCHEMBL1458264 0.79 CYP2C9 (0.47) KDM4EALDH1A1KMT2ANPC1RAB9A
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.