SCHEMBL9968419

SCHEMBL9968419

C=C(C)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMO Q99835 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
RPS6KB1 P23443 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
THPO P40225 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL9931839 0.89 MEN1 (0.46) MEN1KMT2ASMOSMN1; SMN2POLB
SCHEMBL9968420 0.86 HTR3A (0.51) MEN1KMT2ASMN1; SMN2RPS6KB1GSK3B
SCHEMBL9968415 0.84 MEN1 (0.41) MEN1KMT2ASMN1; SMN2POLBRPS6KB1
SCHEMBL9932064 0.84 ALDH1A1 (0.46) MEN1KMT2ASMOSMN1; SMN2POLB
SCHEMBL9968417 0.83 METAP2 (0.44) MEN1KMT2ASMOSMN1; SMN2KDM4E
SCHEMBL9932793 0.82 KDM4E (0.42) MEN1KMT2ASMN1; SMN2POLBRPS6KB1
SCHEMBL9932543 0.82 SMO (0.45) MEN1KMT2ASMOSMN1; SMN2RPS6KB1
SCHEMBL9968519 0.82 HTR3A (0.49) MEN1KMT2ASMN1; SMN2RPS6KB1GSK3B
SCHEMBL9968416 0.81 TSHR (0.43) MEN1KMT2ASMOSMN1; SMN2RPS6KB1
SCHEMBL9968414 0.81 HSD11B1 (0.47) MEN1KMT2ASMOSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 MEN1 1168/4885KMT2A 310/4885SMO 1/4885

“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.