SCHEMBL29964

SCHEMBL29964

O=C(Nc1nc2ccc(O)cc2s1)c1c(F)ccc(O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 1.00
HSD17B2 P37059 7/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2B6 P20813 1/20 1.00
CYP2C19 P33261 1/20 1.00
DYRK1A Q13627 4/20 0.57
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.53
DYRK1B Q9Y463 2/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
PCSK9 Q8NBP7 1/20 0.51
SCD O00767 1/20 0.50
LRRK2 Q5S007 1/20 0.50
DYRK2 Q92630 1/20 0.49

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
SCHEMBL30432 0.88 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL29710 0.83 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL31155 0.82 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL29886 0.81 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL30323 0.81 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL31033 0.80 HSD17B1 (0.76) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL16554188 0.79 HSD17B1 (0.65) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL12199323 0.78 HSD17B1 (0.76) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL12199347 0.78 HSD17B1 (0.76) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9
SCHEMBL13329184 0.77 HSD17B1 (0.81) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9

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
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP claimed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO claimed
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
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 HSD17B1 71/4885HSD17B2 269/4885CYP3A4 53/4885

“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.