SCHEMBL3787008

SCHEMBL3787008

CSc1ccc(-c2ccc(N)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 4/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 4/20 0.39
MAPT P10636 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL3789297 0.86 MAPT (0.57) TDP1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3783187 0.83 AAK1 (0.48) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL3793202 0.82 MAOA (0.50) TDP1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL8920417 0.82 CASP1 (0.48) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL5049871 0.79 TDP1 (0.41) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL3789256 0.75 CYP3A4 (0.40) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL3787062 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL30908393 0.74 SLC6A2 (0.46) ALDH1A1MAPTTAAR1KDM4EHPGD
SCHEMBL3880672 0.74 SLC6A2 (0.46) ALDH1A1MAPTTAAR1KDM4EHPGD
SCHEMBL3785288 0.73 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4TP53MEN1

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 TDP1 4196/4885ALDH1A1 4339/4885CYP3A4 177/4885

“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.