SCHEMBL3752925

SCHEMBL3752925

Cc1cc(Cl)nc(Cl)c1CCl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.33
PDCD1LG2 Q9BQ51 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL5421781 0.87 TAAR1 (0.38) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL27261553 0.84 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL3706754 0.83 KDM4E (0.37) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL29882499 0.83 KMT2A (0.40) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL3705107 0.83 KMT2A (0.40) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL10451753 0.78 KCNH2 (0.36) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL10757704 0.76 L3MBTL1 (0.33) KMT2AL3MBTL1
SCHEMBL30096116 0.75 HTT (0.44) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL31396216 0.73 ALDH1A1 (0.39) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL3752930 0.73 CYP3A4 (0.40) KDM4ECYP3A4CYP2C19HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 KDM4E 1949/4885CYP3A4 1854/4885CYP2C19 1094/4885

“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.