SCHEMBL3786505

SCHEMBL3786505

Nc1cc(CO)cc(-c2ccccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.41
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DHFR P00374 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3789255 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1DHFRADORA3
SCHEMBL3726097 0.80 ALDH1A1 (0.57) ALDH1A1HSD17B10L3MBTL1TSHRADORA3
SCHEMBL3786783 0.79 MAOA (0.48) ALDH1A1HSD17B10TOP2ATOP2BTSHR
SCHEMBL393770 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10L3MBTL1TSHRHDAC3
SCHEMBL3786685 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TSHRDHFR
SCHEMBL3780752 0.74 MAOA (0.52) ALDH1A1KDM4EMAPTPRKCIMAOA
SCHEMBL5671941 0.73 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1TSHRDHFR
SCHEMBL29520503 0.73 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1TSHRDHFR
SCHEMBL25012067 0.73 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1DHFRKDM4E
SCHEMBL3787145 0.73 CYP3A4 (0.46) ALDH1A1HSD17B10TOP2ATOP2BTSHR

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 ALDH1A1 4339/4885HSD17B10 1100/4885L3MBTL1 3838/4885

“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.