SCHEMBL16020175

SCHEMBL16020175

Cc1ccc(C)c(-c2ccnn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.48
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
COMT P21964 1/20 0.42
DRD1 P21728 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
BRD4 O60885 1/20 0.39
ATM Q13315 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
S1PR4 O95977 1/20 0.38
METAP2 P50579 1/20 0.38
AR P10275 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL16301302 0.85 DRD1 (0.49) ALDH1A1MAPTCOMTDRD1PDE3B
SCHEMBL13036097 0.82 ALDH1A1 (0.46) ALDH1A1MAPTCOMTDRD1PDE3B
SCHEMBL16020167 0.82 ALDH1A1 (0.58) ALDH1A1MAPTCOMTDRD1PDE3B
SCHEMBL24893262 0.82 ALDH1A1 (0.43) ESRRAALDH1A1MAPTCOMTDRD1
SCHEMBL13144356 0.82 MAPT (0.50) ESRRAALDH1A1MAPTCOMTATM
SCHEMBL15248968 0.80 HTR2A (0.53) ALDH1A1MAPTBRD4SCN9AKDM4E
SCHEMBL16900307 0.80 ALDH1A1 (0.41) ALDH1A1MAPTCOMTDRD1PDE3B
SCHEMBL9911401 0.79 ALDH1A1 (0.54) ALDH1A1MAPTCOMTDRD1PDE3B
SCHEMBL14708004 0.78 CYP1A2 (0.54) ALDH1A1MAPTSCN9ACYP1A2METAP2
SCHEMBL16545859 0.77 FLT1 (0.45) ALDH1A1MAPTCOMTDRD1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079902-B2 Heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-07-14 US disclosed
US-20140256707-A1 Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2014-09-11 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-20140256707-A1 Heteroaryl Sodium Channel Inhibitors SCN1A, SCN5A, SCN1B ESRRA 4811/4885ALDH1A1 1377/4885MAPT 3233/4885

“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.