SCHEMBL9931365

SCHEMBL9931365

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
SMO Q99835 4/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
MAP4K1 Q92918 1/20 0.41
KDR P35968 5/20 0.41
PTK2 Q05397 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT3 P40763 1/20 0.41
PLK1 P53350 3/20 0.40

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) ALDH1A1LMNAHTTSMOHPGD
SCHEMBL9931983 0.87 KMT2A (0.46) ALDH1A1LMNAHTTSMOHPGD
SCHEMBL9932064 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMOHPGD
SCHEMBL9968417 0.83 METAP2 (0.44) ALDH1A1SMOHPGDKMT2AMEN1
SCHEMBL9932871 0.83 KDR (0.48) ALDH1A1LMNAHTTSMOHPGD
SCHEMBL9932684 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMOHPGD
SCHEMBL9971218 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMOHPGD
SCHEMBL9931840 0.79 SMO (0.45) ALDH1A1LMNAHTTSMOHPGD
SCHEMBL9932110 0.79 HSD11B1 (0.48) ALDH1A1SMOKMT2AMEN1SMN1; SMN2
SCHEMBL1533907 0.78 HTR3A (0.49) ALDH1A1HTTHPGDKMT2AMEN1

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 503/4885LMNA 3356/4885HTT 3114/4885

“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.