SCHEMBL1440337

SCHEMBL1440337

CCCNC(=O)C1CCN(c2nc3cc(Cl)c(Cl)cc3n2C(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.56
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ USP2 O75604 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
SCHEMBL1440663 0.94 PTGES (0.54) PTGESKDM4EHPGDHSD17B10LMNA
SCHEMBL12811631 0.89 PTGES (0.53) PTGESKDM4EHPGDHSD17B10LMNA
SCHEMBL1439931 0.89 PTGES (0.53) PTGESKDM4EHPGDHSD17B10LMNA
SCHEMBL1440613 0.86 PTGES (0.59) PTGESMAPT
SCHEMBL20702176 0.86 PTGES (0.54) PTGESKDM4EHPGDHSD17B10LMNA
SCHEMBL1440225 0.85 PTGES (0.74) PTGESKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL1440697 0.85 PTGES (0.58) PTGESMAPT
SCHEMBL1440322 0.84 PTGES (0.52) PTGESHPGDLMNASMN1; SMN2MAPT
SCHEMBL12811888 0.83 PTGES (0.68) PTGESKDM4EHPGDHSD17B10LMNA
SCHEMBL1439832 0.83 PTGES (0.55) PTGESKDM4EHPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2019-02-07 — — US disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — 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-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885KDM4E 3498/4885HPGD 13/4885

“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.

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