SCHEMBL668255

SCHEMBL668255

CCCCCC(CC(=O)O)c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CHRM1 P11229 1/20 0.46
IDO1 P14902 1/20 0.46
PIN1 Q13526 1/20 0.46
FPR1 P21462 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45

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
SCHEMBL7854778 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9224380 0.84 ALDH1A1 (0.57) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30872632 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30872649 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL19132556 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28626914 0.82 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28421573 0.81 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28416316 0.81 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28420241 0.81 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28415424 0.81 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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 5 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
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 4784/4885KMT2A 1777/4885SMN1; SMN2 4389/4885

“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.