SCHEMBL3067150

SCHEMBL3067150

CCOC(=O)C(C#N)=Cc1ccccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
MIF P14174 1/20 0.56
ALDH1A1 P00352 5/20 0.55
LMNA P02545 4/20 0.55
HPGD P15428 3/20 0.55
RECQL P46063 1/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
STAT1 P42224 1/20 0.55
TP53 P04637 3/20 0.53
HTT P42858 2/20 0.53
ATM Q13315 1/20 0.53
PKM P14618 1/20 0.51

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
SCHEMBL3067149 1.00 KMT2A (0.59) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL9753254 0.89 KMT2A (0.74) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL9753251 0.89 KMT2A (0.74) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL11669949 0.84 MAPT (0.68) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL4661342 0.84 MAPT (0.68) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL4661347 0.84 MAPT (0.68) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL27506711 0.83 NR1H4 (0.53) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL21457627 0.81 KDM4E (0.69) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL21457624 0.81 KDM4E (0.69) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL2791456 0.79 ALDH1A1 (0.63) KMT2AKDM4EMEN1MIFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP 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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 KMT2A 1484/4885KDM4E 1199/4885MEN1 3974/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO KMT2A 1715/4885KDM4E 1638/4885MEN1 4123/4885

“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.