Sugi Predict

Sugi Predict / Compounds / SCHEMBL1013049

SCHEMBL1013049

SCHEMBL1013049

Nc1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.67
▸ TAAR1 Q96RJ0 3/20 0.63
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ MAP4K4 O95819 3/20 0.52
▸ AGXT P21549 1/20 0.52
▸ CYP3A4 P08684 3/20 0.50
▸ CYP17A1 P05093 2/20 0.50
▸ CYP19A1 P11511 2/20 0.50
▸ CYP11B1 P15538 2/20 0.50
▸ CYP11B2 P19099 2/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ PSIP1 O75475 1/20 0.48
▸ AXL P30530 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ RECQL P46063 1/20 0.48

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
SCHEMBL27978514 0.96 MAOA (0.61) MAOATAAR1CA12CA1CA2
SCHEMBL29394565 0.88 MAOA (0.84) MAOATAAR1CA12CA1CA2
SCHEMBL19446666 0.88 MAOA (0.84) MAOATAAR1CA12CA1CA2
SCHEMBL31131353 0.88 MAOA (0.84) MAOATAAR1CA12CA1CA2
SCHEMBL29561461 0.88 MAOA (0.84) MAOATAAR1CA12CA1CA2
SCHEMBL311194 0.88 MAOA (0.84) MAOATAAR1CA12CA1CA2
SCHEMBL23704123 0.86 TAAR1 (0.76) MAOATAAR1AGXTCYP3A4MEN1
SCHEMBL19446605 0.85 MAOA (0.80) MAOATAAR1CA12CA1CA2
SCHEMBL3790609 0.84 TAAR1 (0.72) MAOATAAR1CA12CA1CA2
SCHEMBL17306371 0.83 MAOA (0.95) MAOATAAR1CA12CA1CA2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 — — EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 — — EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed
US-20260062376-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RES TRIANGLE INST (US) 2026-03-05 — — US disclosed
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 — — US disclosed
EP-4532463-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS Research Triangle Institute (US) 2025-04-09 — — EP disclosed
CN-119325464-A Square amide derivatives as CB1 allosteric modulators 研究三角协会 2025-01-17 — — CN disclosed
EP-4324831-A1 ARYLAMINE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2024-02-21 — — EP disclosed
WO-2023235548-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2023-12-07 — — WO disclosed
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 — — CN disclosed
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 — — US disclosed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 — — US disclosed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 — — US disclosed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 — — US disclosed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 — — US disclosed
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 — — US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 — — 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 (7 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-20260062376-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, OPRL1 MAOA 3717/4885TAAR1 159/4885CA12 3581/4885
US-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 MAOA 1271/4885TAAR1 60/4885CA12 3736/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB MAOA 4876/4885TAAR1 3109/4885CA12 4804/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOA 686/4885TAAR1 204/4885CA12 3901/4885
US-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK MAOA 1332/4885TAAR1 224/4885CA12 3014/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 MAOA 1271/4885TAAR1 60/4885CA12 3736/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB MAOA 4876/4885TAAR1 3109/4885CA12 4804/4885

“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.