SCHEMBL858671

SCHEMBL858671

O=C(O)c1cn(-c2ccccc2)c(-c2ccccc2)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.55
KDM4E B2RXH2 4/20 0.53
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.45
RPA1 P27694 1/20 0.44
NOTUM Q6P988 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTPN5 P54829 1/20 0.42
MAPK1 P28482 1/20 0.41
MYC P01106 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 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
Hydrochloric Acid SCHEMBL10759674 0.82 ALDH1A1 (0.48) COMTKDM4ELMNAPOLBRECQL
SCHEMBL11579855 0.81 KDM4E (0.54) COMTKDM4ELMNAPOLBRECQL
SCHEMBL11559547 0.80 ALDH1A1 (0.71) COMTKDM4ELMNAPOLBRECQL
SCHEMBL10462449 0.80 HPGD (0.45) COMTALDH1A1HPGDMAOAMAOB
SCHEMBL3410900 0.80 GABRA2 (0.54) KDM4ELMNAALDH1A1HPGDMAPK1
SCHEMBL10759523 0.78 BCL2L1 (0.50) KDM4ELMNAPOLBRECQLALDH1A1
SCHEMBL10762153 0.78 LMNA (0.49) COMTKDM4ELMNAPOLBRECQL
SCHEMBL26986724 0.77 ALDH1A1 (0.49) COMTKDM4EALDH1A1RPA1MAPT
SCHEMBL10756831 0.77 LMNA (0.48) KDM4ELMNAPOLBRECQLALDH1A1
SCHEMBL10761367 0.77 KMT2A (0.53) KDM4ELMNAPOLBRECQLRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149735-A1 1,4-Dihydropyridine Derivatives and Their Uses CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) 2012-06-14 US disclosed
EP-2432763-A1 1,4 DIHYDROPYRIDINE DERIVATIVES AND THEIR USES Université de Lille 2 Droit et Santé (FR) 2012-03-28 EP disclosed
EP-2261211-A1 1,4-dihydropyridine derivatives and their uses Université de Lille 2 Droit et Santé (FR) 2010-12-15 EP disclosed
WO-2010133973-A1 1,4 DIHYDROPYRIDINE DERIVATIVES AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2010-11-25 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 (1 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-20120149735-A1 1,4-Dihydropyridine Derivatives and Their Uses CNR2, CNR1, TRPV1 COMT 1215/4885KDM4E 1773/4885LMNA 3355/4885

“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.