SCHEMBL31401

SCHEMBL31401

COc1ccc2nc(NC(=O)c3c(F)ccc(OC)c3F)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.66
RAB9A P51151 10/20 0.66
SCD O00767 7/20 0.65
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
CYP3A4 P08684 2/20 0.61
CYP2C19 P33261 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.61
HTT P42858 1/20 0.61
DYRK1A Q13627 1/20 0.61
DCLK1 O15075 1/20 0.60
FES P07332 1/20 0.60
PIM1 P11309 1/20 0.60
CDK2 P24941 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
IRAK1 P51617 1/20 0.60
MAP4K2 Q12851 1/20 0.60
NTRK3 Q16288 1/20 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
SCHEMBL31087 0.90 DCLK1 (0.67) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL31001 0.84 SCD (0.76) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL31005 0.83 RAB9A (0.83) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL30847 0.83 RAB9A (0.75) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL30930 0.82 NPC1 (0.73) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL30919 0.81 RAB9A (0.72) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL4919731 0.79 RAB9A (1.00) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL16681363 0.79 SCD (0.88) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL2480611 0.79 SCD (1.00) NPC1RAB9ASCDKMT2AMEN1
SCHEMBL12199354 0.79 SCD (1.00) NPC1RAB9ASCDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
EP-3041470-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY Board Of Regents Of the University Of Texas System (US) 2016-07-13 EP disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 WO disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 WO disclosed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 NPC1 840/4885RAB9A 4781/4885SCD 4/4885

“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.