SCHEMBL14720188

SCHEMBL14720188

Clc1c(Cl)c(Cl)c(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.56
▸ STAT1 P42224 1/20 0.56
▸ ENPP2 Q13822 1/20 0.32
▸ TERT O14746 2/20 0.31
▸ TOP1 P11387 1/20 0.31
▸ CYCS P99999 2/20 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
SCHEMBL1702610 0.84 STAT3 (0.50) STAT3STAT1
SCHEMBL7259660 0.83 STAT3 (0.64) STAT3STAT1ENPP2TERTTOP1
SCHEMBL1290623 0.82 STAT3 (0.56) STAT3STAT1TERTTOP1CYCS
SCHEMBL6744593 0.81 STAT3 (0.55) STAT3STAT1
SCHEMBL17112278 0.81 STAT3 (0.55) STAT3STAT1TERTTOP1CYCS
SCHEMBL30831215 0.81 STAT3 (0.53) STAT3STAT1
SCHEMBL9641446 0.81 STAT3 (0.44) STAT3STAT1ENPP2
SCHEMBL9764318 0.81 STAT3 (0.58) STAT3STAT1
SCHEMBL5013624 0.80 STAT3 (0.57) STAT3STAT1ENPP2TERTTOP1
SCHEMBL19206150 0.80 STAT3 (0.53) STAT3STAT1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227184-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-08-14 — — US claimed
EP-2744771-B1 C-HALOGEN BOND FORMATION UNIV PRINCETON (US) 2020-10-21 — — EP disclosed
US-20190127311-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-05-02 — — US disclosed
US-20160264512-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-09-15 — — US disclosed
WO-2015054476-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-04-16 — — WO disclosed
US-20150031768-A1 C-HALOGEN BOND FORMATION NATIONAL SCIENCE FOUNDATION 2015-01-29 — — US disclosed
US-20140227184-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-08-14 — — US disclosed
EP-2744771-A1 C-HALOGEN BOND FORMATION The Trustees of Princeton University (US) 2014-06-25 — — EP disclosed
WO-2013081685-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-06-06 — — WO disclosed
WO-2013028639-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-02-28 — — 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 (4 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-20140227184-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 STAT3 2970/4885STAT1 4679/4885ENPP2 4428/4885
US-20160264512-A1 C-HALOGEN BOND FORMATION FOS, BCL3, CBR3 STAT3 3786/4885STAT1 4836/4885ENPP2 4364/4885
US-20190127311-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 STAT3 2970/4885STAT1 4679/4885ENPP2 4428/4885
US-20150031768-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 STAT3 2970/4885STAT1 4679/4885ENPP2 4428/4885

“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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