SCHEMBL3218312

SCHEMBL3218312

CCN(CC)CC(=O)Nc1cccc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
DDX3X O00571 2/20 0.56
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
MC4R P32245 1/20 0.55
SCN4A P35499 1/20 0.55
MC3R P41968 1/20 0.55
HTR3A P46098 1/20 0.55
SCN5A Q14524 1/20 0.55
SCN9A Q15858 1/20 0.55
SCN3A Q9NY46 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 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
SCHEMBL3220378 0.87 ALDH1A1 (0.51) ALDH1A1DDX3XMAPTLMNACYP3A4
SCHEMBL3223733 0.87 ALDH1A1 (0.55) ALDH1A1DDX3XMAPTLMNAHDAC3
SCHEMBL2337206 0.84 ALDH1A1 (0.60) ALDH1A1DDX3XMAPTLMNAHDAC3
SCHEMBL14587039 0.84 ALDH1A1 (0.60) ALDH1A1DDX3XMAPTLMNAHDAC3
SCHEMBL397243 0.82 POLB (0.67) ALDH1A1DDX3XMAPTLMNACYP3A4
SCHEMBL3197036 0.81 ALDH1A1 (0.53) ALDH1A1DDX3XMAPTLMNAHDAC3
SCHEMBL6325836 0.81 ALDH1A1 (0.69) ALDH1A1MAPTLMNACYP3A4MAPK1
Hydrochloric Acid SCHEMBL8392614 0.81 POLB (0.65) ALDH1A1DDX3XMAPTLMNACYP3A4
SCHEMBL8623174 0.80 ALDH1A1 (0.68) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL78475 0.80 ALDH1A1 (0.59) ALDH1A1MAPTLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145377-B2 G-quadruplex stabilising agent UNIVERSITY COLLEGE LONDON (GB) 2015-09-29 US disclosed
US-9145377-B2 G-quadruplex stabilising agent UNIVERSITY COLLEGE LONDON (GB) 2015-09-29 US disclosed
US-9145377-B2 G-quadruplex stabilising agent UNIVERSITY COLLEGE LONDON (GB) 2015-09-29 US disclosed
EP-2694487-B1 G-quadruplex stabilising agent UNIV LONDON (GB) 2015-09-16 EP disclosed
EP-2694487-B1 G-quadruplex stabilising agent UNIV LONDON (GB) 2015-09-16 EP disclosed
US-20140107168-A1 G-QUADRUPLEX STABILISING AGENT UNIVERSITY COLLEGE LONDON (GB) 2014-04-17 US disclosed
US-20140107168-A1 G-QUADRUPLEX STABILISING AGENT UNIVERSITY COLLEGE LONDON (GB) 2014-04-17 US disclosed
US-20140107168-A1 G-QUADRUPLEX STABILISING AGENT UNIVERSITY COLLEGE LONDON (GB) 2014-04-17 US disclosed
EP-2694487-A1 G-QUADRUPLEX STABILISING AGENT University College London (GB) 2014-02-12 EP disclosed
WO-2012136997-A1 G-QUADRUPLEX STABILISING AGENT UNIVERSITY COLLEGE LONDON (GB) 2012-10-11 WO disclosed
WO-2012136997-A1 G-QUADRUPLEX STABILISING AGENT UNIVERSITY COLLEGE LONDON (GB) 2012-10-11 WO disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 ALDH1A1 1600/4885DDX3X 3284/4885MAPT 705/4885
US-20140107168-A1 G-QUADRUPLEX STABILISING AGENT NR2C2, NCOR2, NR3C1 ALDH1A1 3276/4885DDX3X 300/4885MAPT 3606/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885DDX3X 3444/4885MAPT 753/4885

“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.