SCHEMBL11226468

SCHEMBL11226468

N=C1NC(=O)c2c(Cl)cc(Cl)c(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.41
ALDH1A1 P00352 2/20 0.37
DNMT1 P26358 1/20 0.36
AHR P35869 1/20 0.35
CYP3A4 P08684 1/20 0.33
PPOX P50336 1/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL11222720 0.92 CES1 (0.41) CES1ALDH1A1DNMT1AHRCYP3A4
SCHEMBL7943454 0.83 CES1 (0.47) CES1ALDH1A1DNMT1AHRCYP3A4
SCHEMBL11222151 0.77 CES1 (0.47) CES1DNMT1PPOXCHEK1WEE1
SCHEMBL3143690 0.76 UCHL1 (0.35) CES1ALDH1A1TSHR
SCHEMBL11260122 0.71 CES1 (0.47) CES1PPOX
SCHEMBL18663501 0.69 ALDH1A1 (0.33) CES1ALDH1A1CYP3A4
SCHEMBL18663489 0.69 GRIN2D (0.34) ALDH1A1
SCHEMBL22268119 0.68 HTR2A (0.37) CES1ALDH1A1DNMT1PPOX
SCHEMBL22268120 0.68 CES1 (0.31) CES1
SCHEMBL5888319 0.65 CES1 (0.59) CES1ALDH1A1DNMT1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723882-B2 Black isoindolinone pigment and coloring agent DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2020-07-28 US disclosed
US-4318850-A Carboxamide type azomethine pigment ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-03-09 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 (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-10723882-B2 Black isoindolinone pigment and coloring agent IK, NDUFS8, NDUFA8 CES1 4348/4885ALDH1A1 101/4885DNMT1 624/4885

“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.