SCHEMBL487395

SCHEMBL487395

O=C(O)c1cnc(I)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ TTR P02766 2/20 0.47
▸ TSHR P16473 1/20 0.45
▸ MGAM O43451 1/20 0.42
▸ P4HA1 P13674 2/20 0.41
▸ P4HTM Q9NXG6 2/20 0.41
▸ TPMT P51580 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ MIF P14174 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38

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
SCHEMBL232290 0.79 HCAR2 (0.50) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL29365646 0.79 HCAR2 (0.50) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL31629408 0.78 MAPK1 (0.46) KDM4EALDH1A1POLBMEN1LMNA
SCHEMBL199221 0.78 TTR (0.54) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL3650453 0.78 HCAR2 (0.48) HCAR2NAPRTTTRTSHRMGAM
Hydrochloric Acid SCHEMBL7476482 0.78 HCAR2 (0.48) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL989115 0.78 KDM4E (0.46) HCAR2NAPRTMGAMP4HA1P4HTM
SCHEMBL31132753 0.77 ALDH1A1 (0.47) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL476528 0.77 ALDH1A1 (0.47) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL15706875 0.76 HCAR2 (0.47) HCAR2NAPRTTTRTSHRMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632910-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-04-08 — — EP disclosed
EP-2049488-B1 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-12-09 — — EP disclosed
EP-2004636-B1 Substituted enaminocarbonyl compounds used as insecticides BAYER IP GMBH (DE) 2015-04-22 — — EP disclosed
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 — — US disclosed
EP-2707373-A1 BICYCLIC (THIO)CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2014-03-19 — — EP disclosed
EP-2021344-B1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-08 — — EP disclosed
CN-102105473-B Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2013-05-08 — — CN disclosed
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 — — EP disclosed
WO-2012152741-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 — — WO disclosed
US-8138350-B2 N′-cyano-N-halogenalkylimidamide derivatives BAYER CROPSCIENCE AG (DE) 2012-03-20 — — US disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 — — US disclosed
US-8084452-B2 Substituted enaminocarbonyl compounds used as insecticides BAYER CROPSCIENCE AG (DE) 2011-12-27 — — US disclosed
US-7951951-B2 Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2011-05-31 — — US disclosed
US-20100240705-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-09-23 — — US disclosed
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives BAYER CROPSCIENCE AG (DE) 2010-02-25 — — US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 — — US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 — — 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 (5 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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 HCAR2 4590/4885NAPRT 1497/4885TTR 1362/4885
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS TARS2, TBCA, DDT HCAR2 4477/4885NAPRT 820/4885TTR 143/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT HCAR2 4183/4885NAPRT 2649/4885TTR 16/4885
US-20100240705-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES DDT, BCHE, PTMS HCAR2 4115/4885NAPRT 1003/4885TTR 2363/4885
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives NCLN, NISCH, DDT HCAR2 4418/4885NAPRT 204/4885TTR 1219/4885

“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.

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