SCHEMBL1111184

SCHEMBL1111184

COc1cc(C(=O)O)nc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.64
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
PLA2G2A P14555 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ALOX15 P16050 1/20 0.49
PDE10A Q9Y233 1/20 0.48
RPA1 P27694 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SCN9A Q15858 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL11154424 0.84 MCL1 (0.55) MCL1MAPTALDH1A1HPGDSCN9A
SCHEMBL4271936 0.83 NPC1 (0.55) MCL1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1111239 0.83 P2RY12 (0.52) MCL1PDE10A
SCHEMBL29660341 0.83 MCL1 (0.76) MCL1KMT2AMAPTADORA3ALDH1A1
SCHEMBL9619442 0.82 MEN1 (0.64) MEN1KMT2AMAPTTSHRATM
SCHEMBL2928253 0.82 MCL1 (0.66) MCL1MAPTATMADORA3RPA1
SCHEMBL11149772 0.82 ALDH1A1 (0.57) MCL1MEN1KMT2AMAPTADORA3
SCHEMBL11155810 0.82 MCL1 (0.63) MCL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3131606 0.82 MCL1 (0.65) MCL1PLA2G2ASCN9A
SCHEMBL11149723 0.81 MAPT (0.54) MCL1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
EP-2279191-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-02 EP disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO 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-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 MCL1 2710/4885MEN1 3005/4885KMT2A 3370/4885

“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.