SCHEMBL3786402

SCHEMBL3786402

Clc1cc(NC2CCCCC2)cc(NC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
EPHX1 P07099 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
APAF1 O14727 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
SCHEMBL7794527 0.96 MEN1 (0.47) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL30288304 0.93 MEN1 (0.48) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL30288234 0.89 GAA (0.46) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL3787843 0.88 CYP3A4 (0.43) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL30288267 0.84 POLB (0.42) MEN1KMT2ALMNATSHRGAA
SCHEMBL3477718 0.80 EPHX2 (0.60) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL2936626 0.78 POLB (0.61) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL7793295 0.78 LMNA (0.58) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL18855421 0.76 POLB (0.63) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL3427795 0.76 KDM4E (0.49) MEN1KMT2ALMNANPC1EPHX1

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
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MEN1 174/4885KMT2A 1474/4885LMNA 3250/4885

“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.