SCHEMBL4140208

SCHEMBL4140208

C/C(=N\O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 3/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL4140209 1.00 CA9 (0.50) CA9MEN1KMT2AMAPTALDH1A1
SCHEMBL12360950 0.87 CA9 (0.52) CA9MEN1KMT2AMAPTALDH1A1
SCHEMBL14298196 0.87 CA9 (0.52) CA9MEN1KMT2AMAPTALDH1A1
Bromobenzene SCHEMBL28232899 0.84 CYP2C19 (0.50) CA9MEN1KMT2AMAPTALDH1A1
SCHEMBL24329691 0.80 MEN1 (0.47) CA9MEN1KMT2AMAPTALDH1A1
SCHEMBL13645704 0.79 CA9 (0.47) CA9KMT2AMAPTALDH1A1NPSR1
SCHEMBL6053302 0.78 MAPT (0.50) CA9MEN1KMT2AMAPTALDH1A1
SCHEMBL5415127 0.78 MAPT (0.50) CA9MEN1KMT2AMAPTALDH1A1
SCHEMBL14626976 0.77 ESR1 (0.48) CA9MEN1KMT2AMAPTALDH1A1
SCHEMBL467701 0.77 ESR1 (0.48) CA9MEN1KMT2AMAPTALDH1A1

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
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS CA9 3957/4885MEN1 4846/4885KMT2A 3128/4885

“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.