SCHEMBL2171111

SCHEMBL2171111

COc1c(O)ccc(Br)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
ALOX12 P18054 1/20 0.52
CA2 P00918 2/20 0.46
CA4 P22748 1/20 0.46
TPMT P51580 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 2/20 0.39
MGAM O43451 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL29290384 0.84 CA2 (0.43) ALOX15ALOX12CA2CA4TPMT
SCHEMBL2588846 0.82 TPMT (0.40) ALOX15ALOX12CA2CA4TPMT
SCHEMBL6423974 0.80 CA2 (0.54) ALOX15ALOX12CA2CA4CA1
SCHEMBL12663229 0.80 TPMT (0.39) ALOX15ALOX12CA2CA4TPMT
SCHEMBL31085196 0.78 ALOX5AP (0.38) ALOX15ALOX12CA2CA4TPMT
SCHEMBL69925 0.77 TDP1 (0.52) ALOX15ALOX12CA2TDP1CA1
SCHEMBL29403778 0.77 TDP1 (0.52) ALOX15ALOX12CA2TDP1CA1
SCHEMBL7484583 0.74 CA2 (0.48) ALOX15ALOX12CA2CA4CA1
SCHEMBL1628136 0.74 CA2 (0.54) CA2CA4TDP1CA1ERN1
SCHEMBL22208495 0.74 ALOX5AP (0.45) ALOX15ALOX12CA2CA4TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 WO disclosed
US-4594428-A Pyrrolidine compounds SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1986-06-10 US disclosed
US-4379161-A Novel substituted heterocyclic phenoxyamines, the method of preparation thereof and the use thereof as local anaesthetics SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE FRANCE (FR) 1983-04-05 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 ALOX15 2103/4885ALOX12 2487/4885CA2 1612/4885

“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.