SCHEMBL13802196

SCHEMBL13802196

O=C(O)c1cc2ccccc2n1C(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.59
DAO P14920 1/20 0.54
MCL1 Q07820 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
PLA2G10 O15496 2/20 0.45
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDO1 P14902 1/20 0.42
MAPT P10636 1/20 0.42
LDHA P00338 1/20 0.41

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
SCHEMBL1672526 0.84 MTNR1A (0.48) CCR2DAOMCL1ALDH1A1MEN1
SCHEMBL13802195 0.82 NOD2 (0.62) CCR2ALDH1A1TSHRPOLBMEN1
SCHEMBL29780995 0.80 DAO (0.65) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL3638561 0.80 DAO (0.65) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL3831363 0.78 KDM1A (0.56) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL4222282 0.77 MCL1 (0.64) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL6882643 0.76 MCL1 (0.50) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL9514581 0.76 DAO (0.59) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL14398966 0.74 MCL1 (0.60) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL5378162 0.74 CCR2 (1.00) CCR2DAOMCL1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 CCR2 1386/4885DAO 4273/4885MCL1 4753/4885

“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.