SCHEMBL1878682

SCHEMBL1878682

O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
NPC1 O15118 2/20 0.65
EPHX1 P07099 2/20 0.65
EPHX2 P34913 2/20 0.65
LMNA P02545 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CHRM1 P11229 1/20 0.65
SLC6A2 P23975 1/20 0.65
PDE4A P27815 1/20 0.65
ADRA1A P35348 1/20 0.65
OPRM1 P35372 1/20 0.65
HTT P42858 1/20 0.65
PDE3A Q14432 1/20 0.65
NLRP3 Q96P20 1/20 0.65
CA12 O43570 4/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA9 Q16790 4/20 0.61
GRIK1 P39086 2/20 0.60

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
SCHEMBL1883373 0.88 CA12 (0.71) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL1879895 0.86 CXCR2 (0.65) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL31206327 0.83 MAPT (0.66) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL10710484 0.83 MEN1 (0.77) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL4548129 0.83 MAPT (0.66) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL28569820 0.83 MEN1 (0.71) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL1885192 0.83 MEN1 (0.71) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL4351611 0.82 TRPV1 (0.62) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL11048619 0.80 MEN1 (0.76) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL4741253 0.80 MEN1 (0.76) MEN1KMT2ANPC1EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110110958-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-05-12 US claimed
WO-2009054878-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-04-30 WO claimed
CN-109053497-B Preparation method and application of hydroxylated triclocarban 香港浸会大学深圳研究院 2021-06-01 CN disclosed
CN-109053497-A A kind of preparation method and application of hydroxylating triclocarban 香港浸会大学深圳研究院 2018-12-21 CN disclosed
US-20110110958-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-05-12 US disclosed
US-20110110958-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-05-12 US disclosed
WO-2009054878-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-04-30 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-20110110958-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA TP53, NUP205, ANXA5 MEN1 2133/4885KMT2A 2664/4885NPC1 173/4885

“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.