SCHEMBL9932793

SCHEMBL9932793

Cn1c(-c2nc(N3CCN(C=O)CC3)ccc2Cl)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
GAA P10253 4/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD11B1 P28845 2/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL9968415 0.89 MEN1 (0.41) KDM4EGAAPOLBHPGDMAPT
SCHEMBL9968420 0.88 HTR3A (0.51) KDM4EMEN1KMT2ASMN1; SMN2RPS6KB1
Formic Acid SCHEMBL9933150 0.85 KDM4E (0.44) KDM4EGAAPOLBHPGDMAPT
SCHEMBL9931839 0.84 MEN1 (0.46) KDM4EGAAPOLBHPGDMAPT
SCHEMBL9932626 0.84 HSD11B1 (0.48) GAASMN1; SMN2HSD11B1ALDH1A1NPC1
SCHEMBL9968519 0.84 HTR3A (0.49) KDM4EMEN1KMT2ASMN1; SMN2RPS6KB1
SCHEMBL9968416 0.83 TSHR (0.43) KDM4EGAAHPGDMAPTMEN1
SCHEMBL9968414 0.83 HSD11B1 (0.47) GAAMEN1KMT2ASMN1; SMN2HSD11B1
SCHEMBL12841110 0.82 KDM4E (0.40) KDM4EGAAPOLBHPGDMAPT
SCHEMBL9968419 0.82 MEN1 (0.41) KDM4EPOLBHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 WO 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 KDM4E 258/4885GAA 2987/4885POLB 1593/4885

“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.