SCHEMBL2618384

SCHEMBL2618384

Cc1ccc(Cn2c(-c3ccc(S(C)(=O)=O)cc3)nc3ncccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
TP53 P04637 1/20 0.49
PTGS2 P35354 4/20 0.48
RORC P51449 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
DHFR P00374 1/20 0.46
GHSR Q92847 1/20 0.46
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGS1 P23219 1/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 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
SCHEMBL2602445 0.85 PTGDR2 (0.44) PTGS2RORCPTGDR2DHFRGHSR
SCHEMBL2618378 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL3439934 0.78 TP53 (0.51) BRD4TP53PTGS2RORCKDM4E
SCHEMBL2618371 0.76 ATR (0.43) PTGS2KMT2APTGS1
SCHEMBL2618381 0.73 PTGS2 (0.48) PTGS2KMT2APTGS1
SCHEMBL2607566 0.73 CYP1A2 (0.49) TP53RORCLMNAPTGDR2DHFR
SCHEMBL2618367 0.71 KDM4E (0.44) BRD4TP53KDM4ELMNAHTT
SCHEMBL2618373 0.70 PTGS2 (0.42) PTGS2KMT2APTGS1
SCHEMBL5581775 0.70 TP53 (0.91) BRD4TP53KDM4ELMNAHTT
SCHEMBL2618372 0.69 NR1H2 (0.46) PTGS2KMT2APTGS1

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-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 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-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP BRD4 291/4885TP53 85/4885PTGS2 734/4885

“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.