SCHEMBL4043152

SCHEMBL4043152

Nc1ccc(C(=O)CN2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 7/20 0.56
HSD17B10 Q99714 1/20 0.56
HRH3 Q9Y5N1 5/20 0.56
CD274 Q9NZQ7 1/20 0.55
KMT2A Q03164 6/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
MPI P34949 1/20 0.50
MAPK1 P28482 1/20 0.48
GSK3B P49841 1/20 0.47

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
SCHEMBL6631154 0.87 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL932621 0.85 ATM (0.57) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL12947818 0.83 KMT2A (0.69) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL14305323 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL21303901 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL18587751 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL10368830 0.83 ATM (0.61) ALDH1A1MAPTHSD17B10HRH3CD274
SCHEMBL1927765 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL3159167 0.83 ALDH1A1 (0.71) ALDH1A1MAPTHSD17B10HRH3KMT2A
SCHEMBL12919996 0.83 TP53 (0.53) ALDH1A1MAPTHSD17B10HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282206-A 1-(4-AMINOPHENYL)-2-MORPHOLINYLETHANONE WESTWOOD PHARMACEUTICALS INC. (US) 1981-08-04 US claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060110379-A1 Linkage of agents using microparticles PERICOR SCIENCE, INC. (US) 2006-05-25 US disclosed
US-20060104966-A1 Transglutaminase linkage of agents to tissue PERICOR SCIENCE, INC. (US) 2006-05-18 US disclosed
US-6958148-B1 Linkage of agents to body tissue using microparticles and transglutaminase PERICOR SCIENCE, INC. (US) 2005-10-25 US disclosed
US-6919076-B1 Conjugates of agents and transglutaminase substrate linking molecules PERICOR SCIENCE, INC. (US) 2005-07-19 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
US-20030059471-A1 Oral delivery formulation COMPTON BRUCE JON (US) 2003-03-27 US disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
US-6267957-B1 Attaching agents to tissue with transglutaminase and a transglutaminase substrate PERICOR SCIENCE, INC. 2001-07-31 US disclosed
US-5236922-A Method for treating depression using 1-(aminophenyl)-2-aminopropanone derivatives LABORATOIRE L. LAFON (FR) 1993-08-17 US disclosed
US-4980377-A ANTIDEPRESSANTS, VASODILATION, IMMUNOSTIMULANTS LABORATOIRE L. LAFON (FR) 1990-12-25 US disclosed
US-4282206-A 1-(4-AMINOPHENYL)-2-MORPHOLINYLETHANONE WESTWOOD PHARMACEUTICALS INC. (US) 1981-08-04 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 ALDH1A1 3369/4885MAPT 751/4885HSD17B10 2096/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS ALDH1A1 4117/4885MAPT 4825/4885HSD17B10 3156/4885

“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.