SCHEMBL3787547

SCHEMBL3787547

NC(=O)c1ccc(N)c(-c2ccccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 1/20 0.50
PDK2 Q15119 2/20 0.47
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP1 P09874 6/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BTK Q06187 1/20 0.43
MAPK14 Q16539 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL3786634 0.89 L3MBTL1 (0.50) L3MBTL1ALDH1A1PDK2BRD4MEN1
SCHEMBL27621512 0.87 BTK (0.50) L3MBTL1ALDH1A1PDK2BRD4MEN1
SCHEMBL9185611 0.85 TTR (0.56) L3MBTL1ALDH1A1PDK2MEN1KMT2A
SCHEMBL3787034 0.83 S100A4 (0.56) L3MBTL1ALDH1A1PDK2BRD4MEN1
SCHEMBL3788399 0.83 CHEK2 (0.53) L3MBTL1ALDH1A1PDK2PARP1TSHR
SCHEMBL15465553 0.80 HDAC7 (0.41) L3MBTL1ALDH1A1PDK2BRD4MEN1
SCHEMBL7114095 0.79 L3MBTL1 (0.59) L3MBTL1PDK2MEN1KMT2APARP1
SCHEMBL3790628 0.78 MKNK1 (0.59) L3MBTL1ALDH1A1PDK2PARP1TSHR
SCHEMBL3785593 0.78 BAZ2B (0.52) L3MBTL1ALDH1A1PDK2PARP1TSHR
Terephthalamide SCHEMBL221067 0.77 CYP3A4 (0.67) L3MBTL1ALDH1A1KMT2APARP1TSHR

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 L3MBTL1 3838/4885ALDH1A1 4339/4885PDK2 1089/4885

“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.