SCHEMBL12374638

SCHEMBL12374638

COC(=O)c1ccc2c(c1)nc(Cl)n2-c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.45
FGFR1 P11362 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHFR P00374 1/20 0.45
CRBN Q96SW2 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
IDH1 O75874 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL24417059 0.85 MAPT (0.47) KDM4ETDP1SMN1; SMN2MAPTFGFR1
SCHEMBL2283234 0.85 IDH1 (0.49) KDM4EFGFR1THRBPOLBIDH1
SCHEMBL12374637 0.81 SIRT2 (0.48) KDM4ESIRT2SIRT1TDP1SMN1; SMN2
SCHEMBL14000400 0.80 POLB (0.57) KDM4ETDP1SMN1; SMN2TP53MAPT
SCHEMBL19029395 0.79 KDM4E (0.56) KDM4ESMN1; SMN2MAPTFGFR1HTT
SCHEMBL4471406 0.78 SIRT2 (0.71) KDM4ESIRT2SIRT1MAPTGAA
SCHEMBL26931778 0.78 SIRT2 (0.60) KDM4ESIRT2SIRT1TP53DHFR
SCHEMBL29829285 0.78 SIRT2 (0.60) KDM4ESIRT2SIRT1TP53DHFR
SCHEMBL148148 0.78 KDM4E (0.58) KDM4ESMN1; SMN2TP53MAPTTHRB
SCHEMBL541343 0.77 HSD17B10 (0.76) KDM4ESIRT2SIRT1SMN1; SMN2TP53

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 885/4885SIRT2 820/4885SIRT1 507/4885

“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.