SCHEMBL3913097

SCHEMBL3913097

CC(=O)Nc1cc[c]c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42
MYC P01106 1/20 0.42

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
SCHEMBL9645353 0.87 ALDH1A1 (0.46) HSD17B10NAPRTALDH1A1CYP1A2HTT
SCHEMBL15421259 0.81 ALDH1A1 (0.42) HSD17B10ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL4066831 0.78 HSD17B10 (0.52) HSD17B10NAPRTALDH1A1CYP1A2HTT
SCHEMBL28100309 0.78 ALDH1A1 (0.55) HSD17B10NAPRTALDH1A1CYP1A2HTT
SCHEMBL7406905 0.78 ALDH1A1 (0.52) HSD17B10NAPRTALDH1A1CYP1A2HTT
SCHEMBL7841883 0.78 ALDH1A1 (0.47) HSD17B10NAPRTALDH1A1CYP1A2HTT
SCHEMBL2459851 0.76 ALDH1A1 (0.47) HSD17B10NAPRTALDH1A1CYP1A2HTT
SCHEMBL9900080 0.76 ALDH1A1 (0.46) HSD17B10NAPRTALDH1A1CYP1A2HTT
SCHEMBL7769606 0.76 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL1743263 0.74 SMN1; SMN2 (0.46) HSD17B10ALDH1A1CYP1A2SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506261-B1 TRISAZO DYES FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2009-11-18 EP claimed
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US claimed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP claimed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
US-7052538-B2 Trisazo dyes for ink jet printing AVECIA LIMITED (GB) 2006-05-30 US claimed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP claimed
US-20050217535-A1 Trisazo dyes for ink jet printing AVECIA INKJET LIMITED (GB) 2005-10-06 US claimed
EP-1506261-A1 TRISAZO DYES FOR INK JET PRINTING Avecia Limited (GB) 2005-02-16 EP claimed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
WO-2003095562-A1 TRISAZO DYES FOR INK JET PRINTING AVECIA LIMITED (GB) 2003-11-20 WO claimed
EP-1521808-B1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES FUJIFILM IMAGING COLORANTS LTD (GB) 2012-08-01 EP disclosed
EP-1506261-B1 TRISAZO DYES FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2009-11-18 EP disclosed
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US disclosed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
WO-2003095562-A1 TRISAZO DYES FOR INK JET PRINTING AVECIA LIMITED (GB) 2003-11-20 WO disclosed
US-6222023-B1 USEFUL AS REACTIVE DYES; DYEING PERFORMANCE SUCH AS UILD-UP PROPERTY, LEVELING PROPERTY; COLORFASTNESS OF DYED PRODUCT, REPRODUCIBILITY; FOR DYEING FIBERS DARK BLUE; SUITED FOR CELLULOSE FIBERS SUMITOMO CHEMICAL, COMPANY, LIMITED (JP) 2001-04-24 US disclosed
US-6214977-B1 DARK-BLUE DYEING OF CELLULOSE FIBER MATERIALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
US-5998591-A COLORFASTNESS; PHOTOSTABILITY; RED, ORANGE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-07 US disclosed
US-5962655-A RED DYE FOR CELLULOSE, POLYAMIDES, POLYURETHANES, LEATHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-05 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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 HSD17B10 2048/4885NAPRT 4398/4885ALDH1A1 2594/4885

“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.