SCHEMBL12374627

SCHEMBL12374627

Cc1ccc(-c2nc3cc(C(=O)O)cnc3n2C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
PTGER4 P35408 1/20 0.43
MAP4K4 O95819 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR3 P49019 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP4 P27487 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MGAM O43451 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 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
SCHEMBL12374628 0.87 TDP1 (0.40) KDM4EALDH1A1MAPTHPGDPTGER4
SCHEMBL2282517 0.84 IDH1 (0.45) PTGER4KDM5AKDM4CKDM5BVDR
SCHEMBL2276223 0.74 IDH1 (0.46)
SCHEMBL6668322 0.69 ALDH1A1 (0.47) ALDH1A1MAPTGAAPTGER4MAPK1
SCHEMBL27773674 0.66 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL15971061 0.66 HCAR3 (0.44) HPGDHCAR3MGAMNPC1POLB
SCHEMBL7728789 0.65 MGAM (0.62) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL10473057 0.65 MGAM (0.62) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL4432096 0.64 ADORA3 (0.55) KDM4EHPGDHCAR3MGAMKMT2A
SCHEMBL31403685 0.63 HCAR3 (0.41) HCAR3RXRAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 KDM4E 885/4885ALDH1A1 854/4885MAPT 4800/4885

“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.