SCHEMBL9968429

SCHEMBL9968429

C=C(OC)N1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GRM2 Q14416 3/20 0.38
DRD4 P21917 1/20 0.38
DGAT1 O75907 1/20 0.38
SMO Q99835 6/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
PHGDH O43175 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9968427 0.89 MEN1 (0.41) KMT2AMEN1LMNAHTTGRM2
SCHEMBL9968430 0.89 KMT2A (0.39) KMT2AMEN1LMNAHTTGRM2
SCHEMBL9932562 0.89 SMO (0.49) KMT2AMEN1LMNAHTTDGAT1
SCHEMBL1533906 0.85 KMT2A (0.46) KMT2AMEN1LMNAHTTGRM2
SCHEMBL9932321 0.85 SMO (0.47) KMT2AMEN1LMNAHTTDGAT1
SCHEMBL9932311 0.85 LMNA (0.48) KMT2AMEN1LMNAHTTDGAT1
SCHEMBL9932811 0.83 CKS1B (0.47) KMT2AMEN1LMNAHTTGRM2
SCHEMBL9968527 0.83 SMO (0.49) KMT2AMEN1LMNAHTTGRM2
SCHEMBL9932527 0.82 CKS1B (0.48) KMT2AMEN1
SCHEMBL9932225 0.82 ALDH1A1 (0.48) KMT2AMEN1LMNAHTTDGAT1

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 KMT2A 310/4885MEN1 1168/4885LMNA 3356/4885

“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.