SCHEMBL4944580

SCHEMBL4944580

NC(=O)c1cccc(-c2cccc(CBr)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.50
MEP1B Q16820 1/20 0.50
AOC3 Q16853 2/20 0.49
ERN1 O75460 2/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
DHODH Q02127 1/20 0.46
CFD P00746 1/20 0.46
CCNT1 O60563 1/20 0.44
CCND1 P24385 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK6 Q00534 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL30896294 0.89 MEP1B (0.59) PARP1MEP1B
SCHEMBL2108942 0.89 MEP1B (0.59) PARP1MEP1B
SCHEMBL172996 0.84 CFD (0.61) PARP1AOC3ERN1DHODHCFD
SCHEMBL4940681 0.84 IKBKB (0.56) PARP1AOC3ERN1DHODHCFD
SCHEMBL2431097 0.83 PARP1 (0.64) PARP1ERN1DHODHCCNT1CCND1
SCHEMBL31422694 0.83 PARP1 (0.64) PARP1ERN1DHODHCCNT1CCND1
SCHEMBL172981 0.83 BCL2 (0.61) PARP1AOC3ERN1DHODHCFD
SCHEMBL12269244 0.83 ERN1 (0.49) PARP1MEP1BAOC3ERN1DHODH
SCHEMBL1788673 0.81 TAAR1 (0.49) PARP1AOC3ERN1DHODHCFD
SCHEMBL6999225 0.81 DHODH (0.63) PARP1ERN1DHODHCCNT1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 PARP1 4588/4885MEP1B 3137/4885AOC3 2014/4885

“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.