SCHEMBL9932601

SCHEMBL9932601

Cn1c(-c2cc(N3CCNCC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.44
NCF1 P14598 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR3A P46098 4/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP1A2 P05177 2/20 0.42
PDE2A O00408 1/20 0.42
HTR2C P28335 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
USP2 O75604 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL9968319 0.89 MEN1 (0.46) MEN1KMT2ACYP1A2PDE2AKDM4E
SCHEMBL9968332 0.87 MEN1 (0.42) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL9933504 0.87 KDM4E (0.41) MEN1KMT2ACYP1A2KDM4ENPC1
SCHEMBL9932576 0.87 BRD4 (0.47) MEN1KMT2APDE2AKDM4ENPC1
SCHEMBL9931740 0.87 ADRB1 (0.44) ADRB1NCF1MEN1KMT2AHTR3A
SCHEMBL9933020 0.86 MEN1 (0.41) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL9968399 0.86 MEN1 (0.41) MEN1KMT2ACYP1A2KDM4ENPC1
SCHEMBL9932075 0.86 MEN1 (0.41) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL9968324 0.86 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL9931663 0.86 KDM4E (0.42) MEN1KMT2ACYP1A2KDM4ENPC1

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 ADRB1 1752/4885NCF1 3705/4885MEN1 1168/4885

“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.