SCHEMBL3785457

SCHEMBL3785457

OB(O)c1ccc(NC2CCCCC2)cc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
HDAC8 Q9BY41 1/20 0.40
GAA P10253 2/20 0.40
IP6K1 Q92551 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL3791034 0.92 KDM4E (0.38) IDO1MAPTKDM4EMAPK1HSD17B10
SCHEMBL3785088 0.87 IDO1 (0.46) IDO1MAPTKDM4EMAPK1HSD17B10
SCHEMBL3786313 0.83 KDM4E (0.46) IDO1MAPTKDM4EALDH1A1HDAC8
SCHEMBL3789194 0.83 MAPT (0.42) MAPTKDM4EMAPK1HSD17B10MEN1
SCHEMBL3789924 0.79 MAPT (0.42) MAPTKDM4EMAPK1HSD17B10MEN1
SCHEMBL3789803 0.78 KDM4E (0.38) IDO1MAPTKDM4EMAPK1HSD17B10
SCHEMBL3780576 0.78 KDM4E (0.56) IDO1MAPTKDM4EMAPK1HSD17B10
SCHEMBL13801923 0.78 HDAC8 (0.57) IDO1MAPTKDM4EMAPK1HSD17B10
SCHEMBL4486171 0.75 ALDH1A1 (0.56) IDO1MAPTKDM4EMAPK1HSD17B10
SCHEMBL3784611 0.75 MAPT (0.45) IDO1MAPTKDM4EMAPK1HSD17B10

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 IDO1 310/4885MAPT 3312/4885KDM4E 2606/4885

“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.