SCHEMBL670014

SCHEMBL670014

CCCCCC(=Cn1cnc2ccccc21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.47
LMNA P02545 2/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
APAF1 O14727 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
ABL1 P00519 1/20 0.37
KMT2A Q03164 1/20 0.37
RIN1 Q13671 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL670013 1.00 ASAH1 (0.47) ASAH1LMNAEGLN3APAF1PTGDR2
SCHEMBL669245 0.72 ASAH1 (0.56) ASAH1LMNAEGLN3APAF1PTGDR2
SCHEMBL13092515 0.72 ASAH1 (0.66) ASAH1LMNAEGLN3SMN1; SMN2ALDH1A1
SCHEMBL13092517 0.72 ASAH1 (0.66) ASAH1LMNAEGLN3SMN1; SMN2ALDH1A1
SCHEMBL669246 0.70 ASAH1 (0.56) ASAH1LMNAEGLN3APAF1SMN1; SMN2
SCHEMBL669244 0.70 ASAH1 (0.56) ASAH1LMNAEGLN3APAF1SMN1; SMN2
SCHEMBL17629136 0.68 LMNA (0.66) LMNACES2CES1TDP1CYP2C9
SCHEMBL17629135 0.68 LMNA (0.66) LMNACES2CES1TDP1CYP2C9
SCHEMBL28271475 0.68 LMNA (0.66) LMNACES2CES1TDP1CYP2C9
SCHEMBL7804822 0.67 TDP1 (0.52) LMNASMN1; SMN2HPGDHSD17B10TDP1

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 ASAH1 3919/4885LMNA 3119/4885EGLN3 4692/4885

“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.