SCHEMBL4385990

SCHEMBL4385990

NC(=O)c1cc2c(OCC3CO3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.48
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
DHFR P00374 1/20 0.42
HTR1A P08908 4/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
RHEB Q15382 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FLT3 P36888 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL5761452 1.00 SRD5A2 (0.48) SRD5A2ALDH1A1GLADHFRHTR1A
SCHEMBL5585050 0.89 SRD5A2 (0.62) SRD5A2ALDH1A1GLADHFRTP53
SCHEMBL5585048 0.89 SRD5A2 (0.62) SRD5A2ALDH1A1GLADHFRTP53
SCHEMBL11451195 0.85 SRD5A2 (0.46) SRD5A2ALDH1A1GLADHFRTP53
SCHEMBL9588071 0.84 ALDH1A1 (0.45) SRD5A2ALDH1A1GLADHFRTP53
SCHEMBL11449692 0.82 ALDH1A1 (0.39) ALDH1A1GLAHTR1ARHEBPOLB
SCHEMBL9535786 0.80 SRD5A2 (0.42) SRD5A2ALDH1A1GLADHFRHTR1A
SCHEMBL12084282 0.79 SRD5A2 (0.54) SRD5A2ALDH1A1HTR1ARHEBPOLB
SCHEMBL11457360 0.79 RHEB (0.51) SRD5A2ALDH1A1GLADHFRTP53
SCHEMBL4891430 0.78 ALDH1A1 (0.55) ALDH1A1GLAHTR1ATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
CN-1303074-C Heteroarylalkylpiperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2007-03-07 CN disclosed
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 EP disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed
US-4935414-A New indolylpropanols, processes for their preparation and their use, and preparations containing the compounds BEIERSDORF AG (DE) 1990-06-19 US disclosed
EP-0297380-A2 Indolyl propanols, process for their preparation, their uses and preparation containing them Beiersdorf-Lilly GmbH (DE) 1989-01-04 EP disclosed
EP-0191724-A2 1,4-Dihydropyridine derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1986-08-20 EP disclosed
US-4304915-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS SANDOZ LTD. (CH) 1981-12-08 US disclosed
US-4229464-A Aminopropanol substituted indole compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1980-10-21 US disclosed
EP-0013878-A1 3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1980-08-06 EP disclosed
US-4152446-A Aminopropanol compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1979-05-01 US disclosed
US-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed
US-4076829-A Aminopropanol compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DT) 1978-02-28 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-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 SRD5A2 873/4885ALDH1A1 4327/4885GLA 285/4885

“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.