SCHEMBL9931983

SCHEMBL9931983

COC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMO Q99835 2/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAP4K1 Q92918 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 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
SCHEMBL9932520 0.88 MEN1 (0.48) KMT2AMEN1METAP2METAP1ALDH1A1
SCHEMBL9931365 0.87 ALDH1A1 (0.48) KMT2AMEN1METAP2METAP1ALDH1A1
SCHEMBL9968417 0.83 METAP2 (0.44) KMT2AMEN1METAP2METAP1ALDH1A1
SCHEMBL9932908 0.83 KDR (0.48) KMT2AMEN1METAP2METAP1ALDH1A1
SCHEMBL9932994 0.82 MEN1 (0.46) KMT2AMEN1ALDH1A1LMNASMO
SCHEMBL9932662 0.79 ITGB2 (0.44) KMT2AMEN1ALDH1A1LMNASMO
SCHEMBL9932110 0.79 HSD11B1 (0.48) KMT2AMEN1METAP2METAP1ALDH1A1
SCHEMBL1533907 0.78 HTR3A (0.49) KMT2AMEN1METAP2METAP1ALDH1A1
SCHEMBL9932562 0.78 SMO (0.49) KMT2AMEN1ALDH1A1LMNASMO
SCHEMBL9932229 0.78 SMO (0.61) KMT2AMEN1SMOSMN1; SMN2MAPT

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 KMT2A 310/4885MEN1 1168/4885METAP2 4661/4885

“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.