SCHEMBL4418709

SCHEMBL4418709

COc1cc(C(=NO)c2c[nH]c(C3=CCCC=C3)n2)cc(OC)c1OC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
EGFR P00533 1/20 0.31
HTT P42858 2/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
PDGFRB P09619 2/20 0.30
KIT P10721 2/20 0.30
KDR P35968 2/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
TUBB4A P04350 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
SCHEMBL4422337 0.90 CTSL (0.32) POLBEGFRHTTMITFLMNA
SCHEMBL4418724 0.85 ALDH1A1 (0.37) POLBHTTLMNATDP1MEN1
SCHEMBL4422771 0.84 TUBB1 (0.40) POLBEGFRTUBB4ATUBBTUBA3C
SCHEMBL1683836 0.80 MAPT (0.31) POLBEGFR
SCHEMBL1683941 0.80 EGFR (0.48) EGFRALDH1A1
SCHEMBL1683885 0.78 MEN1 (0.38) POLBMITFLMNATP53RAB9A
SCHEMBL4421792 0.77 EGFR (0.47) POLBEGFRHTTMITFLMNA
SCHEMBL1683888 0.77 EGFR (0.47) POLBEGFRHTTMITFLMNA
SCHEMBL1683835 0.77 EGFR (0.47) POLBEGFRHTTMITFLMNA
SCHEMBL1683712 0.75 GAA (0.46) POLBLMNASMN1; SMN2MEN1ALDH1A1

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-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY POLB 511/4885EGFR 263/4885HTT 1815/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 POLB 740/4885EGFR 520/4885HTT 4306/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 POLB 740/4885EGFR 520/4885HTT 4306/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 POLB 740/4885EGFR 520/4885HTT 4306/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 POLB 740/4885EGFR 520/4885HTT 4306/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 POLB 740/4885EGFR 520/4885HTT 4306/4885

“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.