SCHEMBL3496995

SCHEMBL3496995

N#Cc1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.69
CYP11B2 P19099 9/20 0.69
TNF P01375 1/20 0.69
HTT P42858 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPK1 P28482 1/20 0.68
LMNA P02545 3/20 0.66
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
IDO1 P14902 1/20 0.60
AGER Q15109 1/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 1/20 0.54
BRD4 O60885 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP13 P45452 1/20 0.51
KMT2A Q03164 1/20 0.50

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
SCHEMBL7744190 0.89 CYP11B1 (0.60) CYP11B1CYP11B2TNFHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8484191 0.88 CYP11B1 (0.58) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL13907295 0.87 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL17531402 0.85 CYP11B1 (0.59) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL17531386 0.85 CYP11B1 (0.62) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3969676 0.85 CYP11B1 (0.69) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL16147497 0.84 CYP11B1 (0.69) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL28226821 0.84 CYP11B1 (0.64) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL19848516 0.82 CYP11B1 (0.60) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL19848448 0.82 CYP11B1 (0.60) CYP11B1CYP11B2TNFHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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 (2 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 CYP11B1 2926/4885CYP11B2 2281/4885TNF 4321/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CYP11B1 3424/4885CYP11B2 3502/4885TNF 2956/4885

“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.