SCHEMBL5505

SCHEMBL5505

COCCCOc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.57
TSHR P16473 1/20 0.56
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.48
NFE2L2 Q16236 1/20 0.46
APP P05067 4/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TMPRSS2 O15393 1/20 0.44
LTA4H P09960 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL17963081 0.96 TDP1 (0.57) TDP1TSHRRAB9ANPC1MAPK1
SCHEMBL17963279 0.94 TDP1 (0.55) TDP1TSHRRAB9ANPC1MAPK1
SCHEMBL5357 0.89 TDP1 (0.59) TDP1TSHRRAB9ANPC1MAPK1
SCHEMBL561615 0.89 TDP1 (0.61) TDP1TSHRRAB9ANPC1ALDH1A1
SCHEMBL563017 0.84 TDP1 (0.61) TDP1TSHRRAB9ANPC1ALDH1A1
SCHEMBL7019557 0.83 APP (0.57) TDP1TSHRRAB9ANPC1MAPK1
SCHEMBL1235262 0.83 APP (0.57) TDP1TSHRRAB9ANPC1MAPK1
SCHEMBL3021121 0.83 APP (0.57) TDP1TSHRRAB9ANPC1MAPK1
SCHEMBL16758740 0.83 APP (0.57) TDP1TSHRRAB9ANPC1MAPK1
SCHEMBL4025998 0.82 ALDH1A1 (0.67) TDP1TSHRRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641855-B Azo compounds, polymers, and processes for their preparation and use 东莞东阳光医疗智能器件研发有限公司 2022-04-29 CN disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
WO-2015151006-A1 SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed
CN-102858743-B Spiro-condensed cyclohexane derivatives as HSL inhibitors useful for the treatment of diabetes HOFFMANN LA ROCHE 2015-06-10 CN disclosed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO 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 (3 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A TDP1 4240/4885TSHR 1059/4885RAB9A 1757/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL TDP1 1520/4885TSHR 1363/4885RAB9A 3896/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE TDP1 3555/4885TSHR 2996/4885RAB9A 4456/4885

“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.