SCHEMBL3347590

SCHEMBL3347590

CC(=O)NCc1cc(N)c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 1/20 0.35
P2RX7 Q99572 1/20 0.34
S1PR4 O95977 1/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3347587 0.81 SETDB1 (0.40) SETDB1L3MBTL1EPHX2NR1H4ALDH1A1
SCHEMBL20632141 0.75 LMNA (0.42) ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL3341060 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP3A4ALOX15
SCHEMBL16880501 0.73 L3MBTL1 (0.39) SETDB1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL1758761 0.72 SETDB1 (0.56) SETDB1L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL11107574 0.72 SETDB1 (0.38) SETDB1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL1991831 0.72 SETDB1 (0.52) SETDB1L3MBTL1EPHX2NR1H4ALDH1A1
SCHEMBL27842546 0.72 KDM4E (0.34) ALDH1A1KDM4EHPGDCYP1A2ALOX15
SCHEMBL6529545 0.71 LMNA (0.60) SETDB1EPHX2ALDH1A1P2RX7RAB9A
SCHEMBL3342937 0.71 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4ALOX15CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 SETDB1 3566/4885L3MBTL1 4395/4885EPHX2 3299/4885

“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.