SCHEMBL4137737

SCHEMBL4137737

CC(C)COC(=O)C(C#N)=Cc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 7/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 4/20 0.52
TP53 P04637 1/20 0.49
DNM1 Q05193 3/20 0.48
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL4137735 1.00 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457161 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457550 0.88 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457553 0.88 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457165 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457509 0.86 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457465 0.86 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457467 0.86 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457192 0.86 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457511 0.86 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074820-A1 AMINOARYLVINYL-S-TRIAZINE COMPOUNDS AND USES THEREOF L'OREAL (FR) 2009-03-19 US disclosed
US-6891005-B2 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED (GB) 2005-05-10 US disclosed
US-20050008588-A1 Aminoarylvinyl-s-triazine compounds and uses thereof L'OREAL (FR) 2005-01-13 US disclosed
US-20030199650-A1 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED 2003-10-23 US disclosed
EP-1119575-B1 BRIDGED METAL COMPLEXES DOW CHEMICAL CO (US) 2003-09-03 EP disclosed
EP-1141034-B1 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEM INT LTD (GB) 2002-10-30 EP disclosed
US-6376406-B1 COORDINATION POLYMERIZATION CATALYSTS FOR ALPHA-OLEFINS THE DOW CHEMICAL COMPANY 2002-04-23 US disclosed
US-6284905-B1 GROUP 4 TRANSITION METAL COMPLEX CONTAINING A BORON OR ALUMINUM BRIDGING GROUP CONTAINING A NITROGEN CONTAINING ELECTRON DONATING GROUP, ESPECIALLY AN AMIDO GROUP; OLEFIN SOLUTION OR SLURRY POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2001-09-04 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 (2 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-20050008588-A1 Aminoarylvinyl-s-triazine compounds and uses thereof TYR, AAAS, ALAD ALDH1A1 784/4885MAPT 910/4885MEN1 3700/4885
US-20090074820-A1 AMINOARYLVINYL-S-TRIAZINE COMPOUNDS AND USES THEREOF TYR, AAAS, ALAD ALDH1A1 750/4885MAPT 874/4885MEN1 3854/4885

“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.