SCHEMBL9932455

SCHEMBL9932455

CC(=O)N1CCCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.49
ITGAL P20701 5/20 0.49
ICAM1 P05362 4/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMO Q99835 3/20 0.44
PDE10A Q9Y233 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
NCF1 P14598 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9932291 0.96 MEN1 (0.48) ITGB2ITGALICAM1MEN1KMT2A
SCHEMBL9932662 0.89 ITGB2 (0.44) ITGB2ITGALICAM1MEN1KMT2A
SCHEMBL9931840 0.89 SMO (0.45) ITGB2ITGALICAM1MEN1KMT2A
SCHEMBL9932266 0.86 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9968327 0.85 MEN1 (0.48) MEN1KMT2ASMOPDE10AKDM4E
SCHEMBL9968309 0.85 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9968330 0.85 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9932994 0.85 MEN1 (0.46) ITGB2ITGALICAM1MEN1KMT2A
SCHEMBL9932684 0.85 ALDH1A1 (0.46) MEN1KMT2ASMOKDM4EALDH1A1
SCHEMBL13033694 0.84 SMO (0.57) MEN1KMT2ASMONCF1KDM4E

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 ITGB2 2471/4885ITGAL 3340/4885ICAM1 3095/4885

“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.