SCHEMBL1875397

SCHEMBL1875397

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 4/20 1.00
MAPT P10636 4/20 1.00
POLB P06746 1/20 1.00
GAA P10253 1/20 1.00
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
NFKB1 P19838 1/20 0.69
GFER P55789 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
EPHX1 P07099 2/20 0.69
EPHX2 P34913 2/20 0.69
MAPK14 Q16539 1/20 0.68
TRPV1 Q8NER1 3/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61

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
SCHEMBL8208060 0.87 MEN1 (0.77) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12112971 0.85 MEN1 (0.72) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16291121 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1885192 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28569820 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL30640703 0.83 EPHX1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2683478 0.83 EPHX1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31206342 0.82 MEN1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1878337 0.82 MEN1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1514839 0.82 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT

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 8 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
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US 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
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 (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-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX TLR2, TLR1, TLR3 MEN1 4848/4885KMT2A 2587/4885NPC1 3460/4885
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.