SCHEMBL2443550

SCHEMBL2443550

O=[C]CC(=O)Nc1nnc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLS O94925 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CA4 P22748 1/20 0.37

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
SCHEMBL8356753 0.79 TP53 (0.46) TP53SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2442194 0.76 TP53 (0.47) TP53SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4717366 0.72 SMN1; SMN2 (0.42) TP53SMN1; SMN2MEN1KMT2ACSNK2A1
SCHEMBL9740903 0.71 SMN1; SMN2 (0.55) TP53SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2440990 0.66
SCHEMBL6372792 0.66 TP53 (0.65) TP53SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL21533558 0.64 ALDH1A1 (0.75) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL6374673 0.64 KAT8 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL18834722 0.63 CA1 (0.61) SMN1; SMN2MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL6374485 0.62 RAB9A (0.54) TP53SMN1; SMN2ALDH1A1CA1CA2

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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP TP53 1182/4885SMN1; SMN2 4462/4885MEN1 4883/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H TP53 1034/4885SMN1; SMN2 4299/4885MEN1 4872/4885

“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.