SCHEMBL4674459

SCHEMBL4674459

O=CNc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.56
RECQL P46063 2/20 0.53
PGR P06401 4/20 0.52
TGM2 P21980 1/20 0.51
LTA4H P09960 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
Pyrrolidine SCHEMBL28363610 0.87 ALDH1A1 (0.48) ALDH1A1TSHRRECQLPGRTGM2
SCHEMBL6411329 0.82 ALDH1A1 (0.57) ALDH1A1TSHRTGM2LTA4HHPGD
SCHEMBL14368315 0.82 FFAR1 (0.46) ALDH1A1TSHRLTA4HMAPTRAB9A
SCHEMBL12040022 0.82 ALDH1A1 (0.45) ALDH1A1TSHRRECQLPGRHPGD
SCHEMBL14402927 0.82 TEAD4 (0.47) ALDH1A1TSHRRECQLLTA4HHPGD
SCHEMBL14468465 0.82 ALDH1A1 (0.56) ALDH1A1TSHRTGM2HPGDSMN1; SMN2
SCHEMBL18063481 0.82 ALDH1A1 (0.55) ALDH1A1RECQLPGRTGM2LTA4H
SCHEMBL14468479 0.81 ALDH1A1 (0.65) ALDH1A1TSHRPGRSMN1; SMN2NPC1
SCHEMBL10356292 0.80 PGR (0.49) ALDH1A1TSHRRECQLPGRTGM2
SCHEMBL10133172 0.80 SCN9A (0.44) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
WO-2019079759-A1 BROAD SPECTRUM ANTIVIRULENCE, ANTI-PERSISTENCE COMPOUNDS RAHME LAURENCE (US) 2019-04-25 WO disclosed
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 WO disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
US-4035375-A N-Substituted amino pyridines and derivatives thereof THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1977-07-12 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 (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-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA ALDH1A1 1152/4885TSHR 4589/4885RECQL 2285/4885

“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.