SCHEMBL2219992

SCHEMBL2219992

O=Cc1c[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.68
PLAU P00749 1/20 0.68
CYP2A6 P11509 2/20 0.58
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
IMPDH2 P12268 1/20 0.51
TDO2 P48775 1/20 0.48
SPR P35270 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN1 P18031 1/20 0.46
HPGD P15428 1/20 0.45
ENPP2 Q13822 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL29951912 1.00 PLG (0.68) PLGPLAUCYP2A6ALDH1A1KDM4E
SCHEMBL4478696 0.87 ALDH1A1 (0.54) PLGPLAUCYP2A6ALDH1A1KDM4E
SCHEMBL29951559 0.87 ALDH1A1 (0.54) PLGPLAUCYP2A6ALDH1A1KDM4E
SCHEMBL29954896 0.84 PLG (0.61) PLGPLAUCYP2A6ALDH1A1KDM4E
SCHEMBL13219342 0.84 PLG (0.61) PLGPLAUCYP2A6ALDH1A1KDM4E
SCHEMBL212820 0.81 PLG (0.61) PLGPLAUCYP2A6ALDH1A1KDM4E
SCHEMBL2279626 0.81 PLG (0.47) PLGPLAUCYP2A6ALDH1A1KDM4E
SCHEMBL6419348 0.79 F7 (0.51) ALDH1A1KDM4ESPRMEN1KMT2A
SCHEMBL2555126 0.78 ERN1 (0.55) PLGPLAUCYP2A6ALDH1A1IMPDH2
SCHEMBL14142366 0.77 SPR (0.50) PLGPLAUALDH1A1KDM4EMAPT

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
CN-110526854-B Alpha, beta-unsaturated ketone derivative, preparation method and application thereof as medicine 宁夏医科大学 2023-12-15 CN disclosed
US-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2023-12-07 US disclosed
WO-2022087422-A9 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-06-09 WO disclosed
WO-2022087422-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-04-28 WO disclosed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (2 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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 PLG 4882/4885PLAU 4851/4885CYP2A6 2478/4885
US-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES GLS2, PYGL, CPS1 PLG 1216/4885PLAU 2966/4885CYP2A6 160/4885

“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.