SCHEMBL1885645

SCHEMBL1885645

CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3cccs3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 4/20 0.38
INSR P06213 1/20 0.38
ITK Q08881 1/20 0.38
AGTR2 P50052 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL1884488 0.89 MEN1 (0.45) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL1889659 0.88 PPARG (0.36) MEN1KMT2AALDH1A1AGTR2KDM4E
SCHEMBL1891790 0.87 PPARG (0.40) ALDH1A1AGTR2KDM4ELMNAMAPT
SCHEMBL1883796 0.85 RAB9A (0.38) ALDH1A1AGTR2KDM4ELMNAMAPT
SCHEMBL1884669 0.85 RAB9A (0.46) ALDH1A1KDM4ELMNA
SCHEMBL1883736 0.85 ITK (0.45) ALDH1A1INSRITKAGTR2LMNA
SCHEMBL1886412 0.85 GNRHR (0.42) ITKAGTR2KDM4ENPSR1LMNA
SCHEMBL1885440 0.85 CNR2 (0.40) CNR2ALDH1A1AGTR2KDM4ELMNA
SCHEMBL1885462 0.85 KDM4E (0.39) ALDH1A1AGTR2KDM4ELMNAGAA
SCHEMBL1889006 0.84 F2 (0.42) AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 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 (2 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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 MEN1 4279/4885KMT2A 3616/4885CNR1 389/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 MEN1 4279/4885KMT2A 3616/4885CNR1 389/4885

“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.