SCHEMBL497463

SCHEMBL497463

O=C(O)C(Cc1c[nH]cn1)Nc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 6/20 0.33
▸ GAA P10253 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ HTT P42858 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ERCC5 P28715 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ BCAT2 O15382 1/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL10845741 1.00 CYP2C19 (0.36) CYP2C19MEN1GAAKMT2ANPC1
Methane SCHEMBL28061561 0.99 CYP2C19 (0.35) CYP2C19MEN1GAAKMT2ANPC1
SCHEMBL11208659 0.80 PPARG (0.40) GAAKMT2ANPC1ITGB1ITGA4
SCHEMBL11208660 0.80 PPARG (0.40) GAAKMT2ANPC1ITGB1ITGA4
SCHEMBL4519604 0.78 MME (0.36) —
SCHEMBL14547050 0.77 GAA (0.38) MEN1GAAKMT2ANPC1HSD17B10
SCHEMBL9956549 0.76 ALDH1A1 (0.33) CYP2C19KMT2ANPC1HSD17B10MAPT
SCHEMBL9956545 0.76 ALDH1A1 (0.33) CYP2C19KMT2ANPC1HSD17B10MAPT
Benzene SCHEMBL27792631 0.76 CPB2 (0.35) SMN1; SMN2
SCHEMBL7607068 0.76 MME (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988312-A A kind of poly amic acid ester, preparation method and negative polyimide composition and application 深圳先进技术研究院 2019-07-09 — — CN claimed
CN-109946925-A A kind of compound is promoting the application in polyimides low-temperature setting, polyimide precursor composition and application thereof 深圳先进技术研究院 2019-06-28 — — CN claimed
CN-102596915-B The synthetic method of 2-thiolhistidine and analogue TETRAHEDRON (FR) 2016-04-20 — — CN claimed
US-20090281093-A1 ANTI-INFLAMMATORY COMPOUNDS C.T.G. PHARMA S.R.L. (IT) 2009-11-12 — — US claimed
US-20090275539-A1 Nuclear Transcription Factors Regulators CTG PHARMA S.R.L. (IT) 2009-11-05 — — US claimed
US-20090227597-A1 PYRAZOLOPYRIMIDINONES AS PHOSPHODIESTERASE INHIBITORS CTG PHARMA S.R.L. (IT) 2009-09-10 — — US claimed
US-20080207751-A1 Sulindac Derivatives for Treatment of Cancer SULFIDRIS S.R.L. (IT) 2008-08-28 — — US claimed
EP-1904440-A1 SULINDAC DERIVATIVES FOR TREATMENT OF CANCER Sulfidris S.r.l. (IT) 2008-04-02 — — EP claimed
EP-1871360-A1 NEW ANTI-INFLAMMATORY COMPOUNDS CTG Pharma S.r.l. (IT) 2008-01-02 — — EP claimed
WO-2006134489-A1 SULINDAC DERIVATIVES FOR TREATMENT OF CANCER SULFIDRIS S.R.L. (IT) 2006-12-21 — — WO claimed
WO-2006111791-A1 NEW ANTI-INFLAMMATORY COMPOUNDS CTG PHARMA S.R.L. (IT) 2006-10-26 — — WO claimed
WO-2006037623-A2 NEW NUCLEAR TRANSCRIPTION FACTORS REGULATORS CTG PHARMA S.R.L. (IT) 2006-04-13 — — WO claimed
EP-1645288-A1 New nuclear transcription factors regulators CTG Pharma S.r.l. (IT) 2006-04-12 — — EP claimed
EP-1630164-A1 Pyrazolopyrimidinones as phosphodiesterase inhibitors Expotrend Company SA (CH) 2006-03-01 — — EP claimed
WO-1995029930-A2 IMPROVED METHOD FOR OLIGONUCLEOTIDE ANALOG SYNTHESIS GILEAD SCIENCES, INC. (US) 1995-11-09 — — WO claimed
JP-58216192-A — — None — — JP disclosed
JP-58219186-A — — None — — JP disclosed
JP-S58219186-A NOVEL CEPHALOSPORIN ASAHI CHEM IND CO LTD 1983-12-20 — — JP disclosed
JP-S58216192-A NOVEL PENICILLIN COMPOUND ASAHI CHEM IND CO LTD 1983-12-15 — — JP disclosed
EP-0068403-A2 Cephalosporin compound Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-01-05 — — EP 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 (2 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-20080207751-A1 Sulindac Derivatives for Treatment of Cancer PTGES3, PTGES2, PTGS1 CYP2C19 1065/4885MEN1 4677/4885GAA 4624/4885
US-20090227597-A1 PYRAZOLOPYRIMIDINONES AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE3B, PDE2A CYP2C19 199/4885MEN1 3037/4885GAA 3527/4885

“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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