SCHEMBL3789498

SCHEMBL3789498

CCSc1ccc(N)c(-c2ccccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TYMS P04818 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
SLC6A4 P31645 2/20 0.36
S100A4 P26447 2/20 0.36
MAOA P21397 1/20 0.36
MAP2K7 O14733 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
GCK P35557 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36

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
SCHEMBL3790219 0.89 ALDH1A1 (0.46) ALDH1A1L3MBTL1RECQLMEN1KMT2A
SCHEMBL3791305 0.84 ALDH1A1 (0.44) ALDH1A1RECQLMEN1KMT2ATYMS
SCHEMBL3787091 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1RECQLMEN1KMT2A
SCHEMBL3789739 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1MEN1KMT2ATYMS
SCHEMBL3790151 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1RECQLHSD17B10SLC6A4
SCHEMBL3785538 0.77 GCK (0.38) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL3785200 0.77 MAOA (0.39) ALDH1A1TYMSKDM4ESLC6A4MAOA
SCHEMBL3784732 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1RECQLMEN1KMT2A
SCHEMBL5050311 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1RECQLMEN1KMT2A
SCHEMBL3780720 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10KDM4ETSHR

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 4339/4885L3MBTL1 3838/4885RECQL 1576/4885

“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.