SCHEMBL3081165

SCHEMBL3081165

S=[C]c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MASP2 O00187 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NUDT1 P36639 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ AOC3 Q16853 1/20 0.50
▸ GAA P10253 3/20 0.47
▸ POLB P06746 2/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ DDAH1 O94760 1/20 0.46
▸ NSD2 O96028 1/20 0.44

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
SCHEMBL718646 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL2162639 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL31677104 0.79 PSMB8 (0.58) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL244929 0.79 PSMB8 (0.58) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL222527 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ANPSR1
Lithium SCHEMBL15812806 0.78 PSMB8 (0.56) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL6209371 0.75 TRPV1 (0.51) ALDH1A1KDM4ENPC1RAB9ANPSR1
2-Mercaptobenzimidazole SCHEMBL10836204 0.73 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL58001 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL1872555 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 — — US disclosed
CN-101370875-A Optical recording medium and azo metal chelate compound MITSUI CHEMICALS INC (JP) 2009-02-18 — — CN disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 — — EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 — — EP disclosed
CN-1639133-A Novel antibacterial compounds, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2005-07-13 — — CN disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 — — US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 — — US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 — — US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 — — 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 (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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885KDM4E 1370/4885NPC1 451/4885

“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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