SCHEMBL3858732

SCHEMBL3858732

CN(C)C=Cc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.44
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MCL1 Q07820 1/20 0.41
VCAM1 P19320 1/20 0.41
PDE7A Q13946 1/20 0.40
AMY1A P0DUB6 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 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
SCHEMBL3858731 1.00 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1MAPTHTT
SCHEMBL8957884 0.83 ALDH1A1 (0.61) KMT2AALDH1A1MAPTHTTTDP1
SCHEMBL9848580 0.83 ALDH1A1 (0.61) KMT2AALDH1A1MAPTHTTTDP1
SCHEMBL3357419 0.81 ALDH1A1 (0.46) KMT2AALDH1A1MAPTHTTTDP1
SCHEMBL28876681 0.81 ALDH1A1 (0.50) KMT2AALDH1A1MAPTHTTTDP1
SCHEMBL16744588 0.79 ALDH1A1 (0.53) HSD17B10KMT2AALDH1A1MAPTHTT
SCHEMBL17065022 0.78 VCAM1 (0.51) KMT2AALDH1A1MAPTHTTTDP1
SCHEMBL28899214 0.78 ALDH1A1 (0.58) HSD17B10KMT2AALDH1A1MAPTHTT
SCHEMBL28899211 0.78 ALDH1A1 (0.58) HSD17B10KMT2AALDH1A1MAPTHTT
SCHEMBL17065023 0.78 VCAM1 (0.51) KMT2AALDH1A1MAPTHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 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 (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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 HSD17B10 1917/4885KMT2A 678/4885ALDH1A1 4302/4885

“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.