SCHEMBL1253014

SCHEMBL1253014

CC(C(=O)O)c1cc(=O)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.54
ALDH1A1 P00352 8/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
TP53 P04637 1/20 0.52
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.48

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
SCHEMBL11458159 0.82 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11470412 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDTNKS2TP53
SCHEMBL1771171 0.82 CYP1A2 (0.61) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11826444 0.80 HPGD (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL9549942 0.79 CYP1A2 (0.58) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11466828 0.76 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL11197750 0.76 KIF11 (0.50) TP53KMT2AMEN1HTT
SCHEMBL29885154 0.76 GPR84 (0.59) KDM4EALDH1A1KMT2ATSHRMEN1
SCHEMBL368690 0.76 GPR84 (0.59) KDM4EALDH1A1KMT2ATSHRMEN1
SCHEMBL27317234 0.75 CYP1A2 (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879877-B2 orally administering 2-(4-chlorobenzoylamino)-3-(2-quinolon-4-yl)propionic acid, for the prophylaxis and/or treatment of xerostomia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-01 US disclosed
CN-1859948-B Carbostyril derivatives for accelerating salivation OTSUKA PHARMA CO LTD 2010-05-26 CN disclosed
US-20070112026-A1 Carbostyril derivatives for accelerating salivation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
CN-1859948-A Carbostyril derivatives for accelerating salivation OTSUKA PHARMA CO LTD (JP) 2006-11-08 CN disclosed
EP-1706383-A1 AMINE SALT OF CARBOSTYRIL DERIVATIVE Otsuka Pharmaceutical Company, Limited (JP) 2006-10-04 EP disclosed
WO-2005070892-A1 AMINE SALT OF CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-08-04 WO disclosed
CN-1117268-A Carbostyril derivative for inhibiting production of interleukin-8 OTSUKA PHARMA CO LTD (JP) 1996-02-21 CN disclosed
US-4187310-A ANTIINFLAMMATORY AGENT, ANALGESICS, ENZYME INHIBITORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-02-05 US disclosed
US-4138490-A Analgesic compositions containing 1,2-dihydro-2-oxoquinol-4-ylpropionic acid derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-06 US disclosed
US-4138490-A Analgesic compositions containing 1,2-dihydro-2-oxoquinol-4-ylpropionic acid derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-06 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-20070112026-A1 Carbostyril derivatives for accelerating salivation TAS2R40, TAS2R41, TAS2R42 KDM4E 3504/4885ALDH1A1 3460/4885HPGD 2266/4885

“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.