SCHEMBL9932684

SCHEMBL9932684

CNC(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SMO Q99835 5/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.41
GRM2 Q14416 1/20 0.41
BACE1 P56817 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
SCHEMBL9931840 0.96 SMO (0.45) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9932291 0.89 MEN1 (0.48) KMT2AMEN1SMOHDAC1HDAC8
SCHEMBL9932994 0.88 MEN1 (0.46) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9932266 0.87 MEN1 (0.58) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9932455 0.85 ITGB2 (0.49) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9932662 0.84 ITGB2 (0.44) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9968327 0.84 MEN1 (0.48) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9931365 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9968309 0.81 MEN1 (0.55) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9968330 0.81 MEN1 (0.55) ALDH1A1KMT2AMEN1LMNAHTT

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 ALDH1A1 503/4885KMT2A 310/4885MEN1 1168/4885

“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.