SCHEMBL670015

SCHEMBL670015

CCCCCC(=Cc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SPHK2 Q9NRA0 1/20 0.53
SPHK1 Q9NYA1 1/20 0.53
DAGLA Q9Y4D2 2/20 0.53
KDM4E B2RXH2 2/20 0.52
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
CHRM1 P11229 1/20 0.43
APEX1 P27695 2/20 0.43

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
SCHEMBL670012 1.00 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL10487062 0.73 BCHE (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL17629136 0.73 LMNA (0.66) APEX1
SCHEMBL28271475 0.73 LMNA (0.66) APEX1
SCHEMBL17629135 0.73 LMNA (0.66) APEX1
SCHEMBL669247 0.72 DAGLA (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL27896458 0.72 KDM4E (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL3684325 0.72 TDP1 (0.67) ALDH1A1APEX1
SCHEMBL9302259 0.72 TDP1 (0.67) ALDH1A1APEX1
SCHEMBL6437828 0.72 TDP1 (0.67) ALDH1A1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB ALDH1A1 4784/4885NPC1 2687/4885RAB9A 2902/4885

“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.