SCHEMBL12468864

SCHEMBL12468864

CCCCOc1c[c]ncc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 13/20 0.49
CYP3A4 P08684 9/20 0.49
CYP19A1 P11511 11/20 0.46
CYP2C9 P11712 10/20 0.46
CYP2C19 P33261 10/20 0.46
CYP1A2 P05177 9/20 0.46
LTA4H P09960 3/20 0.43
NR5A1 Q13285 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9480424 0.95 NR5A1 (0.44) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL3048497 0.79 APP (0.40) ALDH1A1MAPT
SCHEMBL7947076 0.74 CYP2D6 (0.81) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL9480278 0.74 APP (0.53) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3048803 0.74 APP (0.45) MAPT
SCHEMBL26850 0.72 LTA4H (0.70) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1201935 0.71 GPBAR1 (0.47) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL1201374 0.71 NFE2L2 (0.50)
SCHEMBL294190 0.71
SCHEMBL8571279 0.71 ALDH1A3 (0.39) CYP3A4ALDH1A1LMNATSHR

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 CYP2D6 228/4885CYP3A4 126/4885CYP19A1 900/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA CYP2D6 228/4885CYP3A4 126/4885CYP19A1 900/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA CYP2D6 228/4885CYP3A4 126/4885CYP19A1 900/4885

“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.