SCHEMBL3628069

SCHEMBL3628069

COc1ccc(-c2cccc(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1A Q13627 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
ENPP3 O14638 1/20 0.52
PARP1 P09874 1/20 0.51

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
SCHEMBL5950603 0.98 NPC1 (0.59) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL27760768 0.94 RAB9A (0.64) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29992900 0.94 RAB9A (0.64) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28342829 0.92 ACHE (0.58) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL17145052 0.90 MAPT (0.70) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2614971 0.88 MAPK14 (0.60) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18255986 0.88 NPC1 (0.54) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL17144746 0.86 NPC1 (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8090460 0.86 ASIC3 (0.60) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30584739 0.86 NPC1 (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017475-B2 Anti-vasculature and anti-tubulin combretastatin analogs for treatment of cancer XAVIER UNIVERSITY OF LOUSIANA (US) 2018-07-10 US claimed
US-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA 2017-02-16 US claimed
WO-2015153252-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2015-10-08 WO claimed
US-10017475-B2 Anti-vasculature and anti-tubulin combretastatin analogs for treatment of cancer XAVIER UNIVERSITY OF LOUSIANA (US) 2018-07-10 US disclosed
US-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA 2017-02-16 US disclosed
US-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA 2017-02-16 US disclosed
WO-2015153252-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2015-10-08 WO disclosed
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP 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 (3 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-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER FLT4, TUBB3, TUBA4A NPC1 2308/4885RAB9A 1219/4885ALDH1A1 3306/4885
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 NPC1 4064/4885RAB9A 3592/4885ALDH1A1 213/4885
US-10017475-B2 Anti-vasculature and anti-tubulin combretastatin analogs for treatment of cancer FLT4, TUBB3, TUBA4A NPC1 2308/4885RAB9A 1219/4885ALDH1A1 3306/4885

“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.