SCHEMBL1643347

SCHEMBL1643347

CC(=O)c1ccc2nc(N3CCCC3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
HRH3 Q9Y5N1 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR3A P46098 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
MCHR1 Q99705 4/20 0.47
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL1643366 0.99 TP53 (0.61) TP53HRH3MEN1KMT2AHTR3A
SCHEMBL1645755 0.87 TP53 (0.54) TP53HRH3MEN1KMT2AHTR3A
SCHEMBL1644052 0.87 HRH3 (0.54) TP53HRH3MEN1KMT2AHTR3A
SCHEMBL1644303 0.85 HRH3 (0.53) TP53HRH3MEN1KMT2AMCHR1
SCHEMBL13648922 0.85 HRH3 (0.59) TP53HRH3MEN1KMT2AHTR3A
SCHEMBL1644372 0.85 HRH3 (0.51) TP53HRH3MEN1KMT2AHTR3A
Hydrochloric Acid SCHEMBL3973032 0.84 HRH3 (0.58) TP53HRH3MEN1KMT2AHTR3A
SCHEMBL20176398 0.83 KDM4E (0.53) TP53HRH3MEN1KMT2AMCHR1
SCHEMBL1644219 0.83 HRH3 (0.52) TP53HRH3MEN1KMT2AMCHR1
SCHEMBL10271626 0.81 SIRT2 (0.53) TP53HRH3KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 TP53 3973/4885HRH3 556/4885MEN1 4500/4885

“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.