SCHEMBL15569205

SCHEMBL15569205

Oc1ccc(Cn2c(-c3ccc(O)cc3)nc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
PDE6D O43924 2/20 0.72
ALDH2 P05091 1/20 0.72
ALDH3A1 P30838 1/20 0.72
TP53 P04637 6/20 0.69
KDM4E B2RXH2 4/20 0.68
HTT P42858 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 2/20 0.68
CNR2 P34972 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ESR1 P03372 1/20 0.65
MAPT P10636 4/20 0.63
HPGD P15428 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
DRD2 P14416 2/20 0.59
TBXA2R P21731 1/20 0.59
GAA P10253 2/20 0.58
BRD4 O60885 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL15474496 0.95 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL18418448 0.94 TP53 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15474874 0.93 LMNA (0.65) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL5581775 0.86 TP53 (0.91) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL28261637 0.86 ALDH1A1 (0.91) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL8392673 0.86 PPARG (0.66) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15569395 0.85 ALDH1A1 (0.78) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15474499 0.85 TP53 (0.81) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL28261635 0.85 ALDH1A1 (0.72) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL5579681 0.84 ALDH1A1 (0.62) ALDH1A1PDE6DALDH2ALDH3A1TP53

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
WO-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 WO claimed
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed
WO-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 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 (5 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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 ALDH1A1 2387/4885PDE6D 4873/4885ALDH2 1647/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 ALDH1A1 2387/4885PDE6D 4873/4885ALDH2 1647/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 ALDH1A1 2387/4885PDE6D 4873/4885ALDH2 1647/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 ALDH1A1 2387/4885PDE6D 4873/4885ALDH2 1647/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 ALDH1A1 2387/4885PDE6D 4873/4885ALDH2 1647/4885

“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.