SCHEMBL14623959

SCHEMBL14623959

CNC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.72
CYP3A4 P08684 2/20 0.72
KDM4E B2RXH2 2/20 0.69
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PDE10A Q9Y233 1/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PTGER4 P35408 2/20 0.67
DHODH Q02127 1/20 0.66
GFER P55789 1/20 0.65
TACR2 P21452 2/20 0.63
ALDH1A1 P00352 1/20 0.63

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
Hydrochloric Acid SCHEMBL6969107 0.98 TACR3 (0.71) TACR3CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL19508774 0.92 CYP3A4 (0.73) TACR3CYP3A4KDM4ESMN1; SMN2MEN1
SCHEMBL17689194 0.86 CYP3A4 (0.77) CYP3A4KDM4ELMNASMN1; SMN2MEN1
SCHEMBL14133006 0.85 TACR3 (0.72) TACR3CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL28844474 0.84 TACR3 (0.79) TACR3CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL6450086 0.84 TACR3 (1.00) TACR3CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL23722846 0.84 TACR3 (0.70) TACR3CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL14970875 0.84 CYP3A4 (1.00) TACR3CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL6209856 0.83 KDM4E (0.76) TACR3CYP3A4KDM4ELMNASMN1; SMN2
SCHEMBL4471933 0.82 TACR3 (1.00) TACR3CYP3A4KDM4EMEN1KMT2A

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-20170152260-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-01 US disclosed
WO-2007008657-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-18 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-20170152260-A1 STAT3 INHIBITOR STAT3, STAT1, STAT4 TACR3 3797/4885CYP3A4 3978/4885KDM4E 3388/4885

“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.