SCHEMBL2883734

SCHEMBL2883734

[CH2]c1c2ccccc2nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 6/20 0.56
GLA P06280 5/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAOA P21397 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ACHE P22303 2/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
NQO2 P16083 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL5908336 0.83 KMT2A (0.45) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL3966414 0.77 GPR3 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1502392 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL2522239 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL13400206 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL6784629 0.74 ERN1 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL1386112 0.74 GPR3 (0.54) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL23172252 0.72 KDM4E (0.56) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL4894495 0.72 KDM4E (0.56) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL17423367 0.72 KDM4E (0.56) ALDH1A1KDM4EGLAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481696-B2 Glycosylated glycopeptide antibiotic derivatives SHIONOGI & CO., LTD. (JP) 2013-07-09 US disclosed
US-20100286364-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES SHIONOGI & CO., LTD. (JP) 2010-11-11 US disclosed
US-7825146-B2 Sulfonamide derivative having isoxazole ring SHIONOGI & CO., LTD. (JP) 2010-11-02 US disclosed
EP-2233495-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE Shionogi & Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed
US-20090069304-A1 MMP-13 SELECTIVE INHIBITOR SHIONOGI & CO., LTD. (JP) 2009-03-12 US disclosed
EP-1997804-A1 MMP-13-SELECTIVE INHIBITOR SHIONOGI & CO., LTD. (JP) 2008-12-03 EP disclosed
US-20080119513-A1 Sulfonamide Derivative Selectively Inhibiting Mmp-13 SHIONOGI & CO., LTD. (JP) 2008-05-22 US disclosed
EP-1787979-A1 SULFONAMIDE DERIVATIVE SELECTIVELY INHIBITING MMP-13 Shionogi Co., Ltd. (JP) 2007-05-23 EP disclosed
EP-1277744-A1 OXADIAZOLE DERIVATIVES HAVING ANTICANCER EFFECTS SHIONOGI & CO., LTD. (JP) 2003-01-22 EP disclosed
US-6495578-B1 SULFONAAMIDE DERIVATIVES CONTAINING OXADIZOLE RING AND A GROUP SELECTED FROM CARBOXY, ACYLOXYALKYL OR AMIDOHYDROXY GROUP; HAVING A MATRIX METALLOPROTEASE INHIBITING EFFECT; ANTICARCINOGENIC AGENT SHIONOGI & CO., LTD. (JP) 2002-12-17 US disclosed
US-6441021-B1 TYPE-IV COLLAGENASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2002-08-27 US disclosed
US-6423729-B1 KIDNEY DISORDERS SHIONOGI & CO., LTD. (JP) 2002-07-23 US disclosed
EP-1172361-A1 SULFONAMIDE DERIVATIVES HAVING OXADIAZOLE RINGS SHIONOGI & CO., LTD. (JP) 2002-01-16 EP disclosed
US-6235768-B1 OSTEOPOROSIS; RHEUMATIC DISORDERS; ANTITUMOR AGENTS SHIONOGI & CO., LTD. (JP) 2001-05-22 US disclosed
US-6207698-B1 FOR THERAPY OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CORNEAL ULCERATION, PERIODONTITIS, METASTASIS AND INVASION OF TUMOR, AND VIRUS INFECTION SHIONOGI & CO., LTD. (JP) 2001-03-27 US disclosed
US-6150394-A 1-(INDOLYL),1-((PHENYL)PHENYL)SULFONAMIDO)ACETIC ACID OR N-HYDROXYACETAMIDE AND DERIVATIVES; ENZYME INHIBITORS E.G., GELATINASE, STROMELYSIN, COLLAGENASE; OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CORNEAL ULCERATION, PERIODONTITIS, HIV SHIONOGI & CO., LTD. (JP) 2000-11-21 US disclosed
EP-1029541-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR GLOMERULOPATHY SHIONOGI & CO., LTD. (JP) 2000-08-23 EP disclosed
EP-0950656-A1 SULFONATED AMINO ACID DERIVATIVES AND METALLOPROTEINASE INHIBITORS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-10-20 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 (4 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-20090069304-A1 MMP-13 SELECTIVE INHIBITOR MMP13, MMP11, MMP3 ALDH1A1 776/4885KDM4E 1116/4885GLA 442/4885
US-20080119513-A1 Sulfonamide Derivative Selectively Inhibiting Mmp-13 MMP13, MMP3, MMP11 ALDH1A1 365/4885KDM4E 1419/4885GLA 143/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 ALDH1A1 469/4885KDM4E 1419/4885GLA 643/4885
US-20100286364-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES CSGALNACT1, OGT, GALNT1 ALDH1A1 724/4885KDM4E 2334/4885GLA 323/4885

“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.