SCHEMBL9931740

SCHEMBL9931740

Cn1c(-c2cc(N3CCNCC3)ncc2F)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.44
NCF1 P14598 3/20 0.44
PDE10A Q9Y233 1/20 0.42
CYP1A2 P05177 2/20 0.42
HTR3A P46098 4/20 0.42
KDM4E B2RXH2 3/20 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
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTT P42858 1/20 0.40
HTR6 P50406 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
SCHEMBL9932601 0.87 ADRB1 (0.44) ADRB1NCF1PDE10ACYP1A2HTR3A
SCHEMBL9931827 0.85 SSTR2 (0.43) PDE10AKDM4ENPC1RAB9AALDH1A1
SCHEMBL1533871 0.83 SMO (0.47) NPC1RAB9AALDH1A1GAASOS1
SCHEMBL9968427 0.83 MEN1 (0.41) PDE10AHTR3AKDM4ENPC1RAB9A
SCHEMBL1533906 0.83 KMT2A (0.46) KDM4ENPC1RAB9AALDH1A1MAPK1
SCHEMBL9932321 0.83 SMO (0.47) NCF1KDM4ENPC1RAB9AALDH1A1
SCHEMBL9932768 0.82 KMT2A (0.47) KDM4ENPC1ALDH1A1HTTHSD17B10
SCHEMBL12841341 0.82 KDM4E (0.41) PDE10AHTR3AKDM4ENPC1RAB9A
SCHEMBL3509749 0.82 MAPKAPK2 (0.44) ADRB1NCF1HTR3AKDM4ENPC1
SCHEMBL9932811 0.81 CKS1B (0.47) KDM4ENPC1RAB9AALDH1A1MAPK1

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 3705/4885PDE10A 1879/4885

“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.