SCHEMBL3786768

SCHEMBL3786768

Nc1ccc(-c2ccc(N)c(Sc3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TAAR1 Q96RJ0 2/20 0.48
AAK1 Q2M2I8 1/20 0.47
HPGD P15428 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
PDE7A Q13946 2/20 0.41
CYP2C9 P11712 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
SCHEMBL3785585 0.93 KDM4E (0.50) HSD17B10CYP3A4TDP1TAAR1AAK1
SCHEMBL3783547 0.86 MAOA (0.55) HSD17B10AAK1HPGDALDH1A1MAPT
SCHEMBL3785288 0.86 ALDH1A1 (0.50) HSD17B10CYP3A4TDP1TAAR1AAK1
SCHEMBL18117133 0.83 CYP3A4 (0.45) HSD17B10CYP3A4TDP1TAAR1HPGD
SCHEMBL3792730 0.81 ALDH1A1 (0.48) HSD17B10AAK1HPGDALDH1A1MAPT
SCHEMBL3784907 0.78 CYP3A4 (0.67) HSD17B10CYP3A4TDP1TAAR1HPGD
SCHEMBL3790365 0.78 KDM4E (0.55) HSD17B10CYP3A4TDP1TAAR1AAK1
SCHEMBL3785965 0.78 CYP3A4 (0.58) HSD17B10CYP3A4TDP1TAAR1HPGD
SCHEMBL3785445 0.75 HPGD (0.54) HSD17B10CYP3A4TDP1TAAR1HPGD
SCHEMBL3783381 0.75 HPGD (0.50) HSD17B10CYP3A4TDP1TAAR1HPGD

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 HSD17B10 1100/4885CYP3A4 177/4885TDP1 4196/4885

“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.