SCHEMBL2296216

SCHEMBL2296216

O=C(O)CCNc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
POLB P06746 2/20 0.59
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GCG P01275 2/20 0.48
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
GCGR P47871 4/20 0.46
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL19808773 0.82 CNR1 (0.49) FFAR1POLBALDH1A1MEN1MAPT
SCHEMBL3129089 0.82 POLB (0.61) FFAR1POLBALDH1A1HSD17B10MEN1
SCHEMBL2703268 0.82 POLB (0.61) FFAR1POLBALDH1A1HSD17B10MEN1
SCHEMBL10424031 0.81 ALDH1A1 (0.54) FFAR1POLBALDH1A1MEN1MAPT
Phenamino Methyl Acetic Acid SCHEMBL433918 0.81 POLB (0.59) FFAR1POLBALDH1A1HSD17B10MEN1
SCHEMBL9803778 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL23121013 0.80 POLB (0.59) FFAR1POLBALDH1A1HSD17B10MEN1
SCHEMBL9514351 0.80 FABP4 (0.50) POLBALDH1A1HSD17B10MEN1MAPT
SCHEMBL3214608 0.80 POLB (0.64) FFAR1POLBALDH1A1HSD17B10MEN1
SCHEMBL3017624 0.80 POLB (0.59) FFAR1POLBALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101058558-A 4-Oxy-1(4H)-quinoline carboxylic acids compound and composition with aldose reductase inhibition activity and preparation method thereof UNIV SHENYANG PHARMACEUTICAL (CN) 2007-10-24 CN claimed
CN-109503478-B 2, 3-dihydro-1H-quinoline-4-ketone thiosemicarbazone derivative and preparation method and application thereof 岭南师范学院 2020-04-24 CN disclosed
CN-109503478-A 2,3- dihydro -1H- quinolin-4-one thiosemicarbazone derivative and its preparation method and application 岭南师范学院 2019-03-22 CN disclosed
CN-104672213-A Amide compound with antitumor activity, and application thereof UNIV SHAANXI TECHNOLOGY 2015-06-03 CN disclosed
CN-101058558-B 4-Oxy-1(4H)-quinoline carboxylic acids compound and composition with aldose reductase inhibition activity and preparation method thereof UNIV SHENYANG PHARMACEUTICAL 2013-04-10 CN disclosed
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
CN-101501032-A Fused tricyclic sulfonamides as gamma secretase inhibitors ELAN PHARM INC (US) 2009-08-05 CN disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 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 (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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R FFAR1 65/4885POLB 2338/4885ALDH1A1 686/4885
US-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 FFAR1 1549/4885POLB 4465/4885ALDH1A1 1381/4885

“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.