SCHEMBL3784751

SCHEMBL3784751

Nc1cc(NC2CCCCC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APAF1 O14727 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 1/20 0.42
IP6K1 Q92551 1/20 0.40
POLB P06746 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL8264452 0.91 TP53 (0.43) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3792014 0.86 MAPT (0.46) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL29793652 0.84 MAPT (0.45) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL28817803 0.84 MAPT (0.45) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL7784547 0.84 MAPT (0.59) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3517848 0.84 MAPT (0.59) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL1566944 0.82 MAPT (0.57) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3784611 0.81 MAPT (0.45) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL19381649 0.79 IDO1 (0.49) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3783518 0.77 IDO1 (0.46) MAPTKDM4EGAAMEN1KMT2A

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 MAPT 3312/4885KDM4E 2606/4885GAA 1755/4885

“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.