SCHEMBL12468997

SCHEMBL12468997

COC(=O)C(C)c1c[c]ncc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.38
MT-CO2 P00403 1/20 0.38
CYP19A1 P11511 2/20 0.37
CYP26A1 O43174 2/20 0.33
MAOB P27338 2/20 0.33
CYP17A1 P05093 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12896270 0.77 CYP19A1 (0.57) PTGS1PTGS2KMT2AHPGDMT-CO2
SCHEMBL11262091 0.77 CYP19A1 (0.57) PTGS1PTGS2KMT2AHPGDMT-CO2
SCHEMBL9579378 0.72
SCHEMBL8557900 0.71
SCHEMBL29002085 0.70 MT-CO2 (0.48) PTGS1PTGS2KMT2AHPGDMT-CO2
SCHEMBL27646025 0.70 MT-CO2 (0.48) PTGS1PTGS2KMT2AMT-CO2MAOB
SCHEMBL2170893 0.69 HPGD (0.50) PTGS1PTGS2KMT2AHPGDMT-CO2
SCHEMBL262458 0.69 HPGD (0.50) PTGS1PTGS2KMT2AHPGDMT-CO2
SCHEMBL995726 0.69 HPGD (0.46) PTGS1PTGS2KMT2AHPGDMT-CO2
SCHEMBL1345587 0.69 HPGD (0.50) PTGS1PTGS2KMT2AHPGDMT-CO2

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-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 US disclosed
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
US-20140024649-A1 Substituted Benzamides and Their Uses AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-23 US disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 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 (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-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA PTGS1 3085/4885PTGS2 1993/4885KMT2A 459/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA PTGS1 3085/4885PTGS2 1993/4885KMT2A 459/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA PTGS1 3085/4885PTGS2 1993/4885KMT2A 459/4885

“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.