SCHEMBL3341075

SCHEMBL3341075

Cc1cc(Cl)c(OCCCO)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IKBKB O14920 1/20 0.38
NNMT P40261 2/20 0.38
DHFR P00374 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL3343157 0.93 NNMT (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13254970 0.83 HTT (0.51) ALDH1A1MAPK1L3MBTL1LMNACYP3A4
SCHEMBL13254931 0.81 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13254958 0.79 CYP1A2 (0.46) KMT2ALMNA
SCHEMBL3341078 0.78 MAOA (0.43) KMT2AMEN1ALDH1A1TP53MAPK1
SCHEMBL3342975 0.78 NNMT (0.41) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL13254964 0.78 CYP2C19 (0.41) KMT2ATP53L3MBTL1LMNANNMT
SCHEMBL3342596 0.78 NNMT (0.35) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL13254940 0.78 THRB (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13254966 0.77 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPK1MAPT

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 KMT2A 3901/4885MEN1 2789/4885ALDH1A1 1399/4885

“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.