SCHEMBL3785585

SCHEMBL3785585

Nc1ccc(-c2ccccc2)cc1Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
AAK1 Q2M2I8 1/20 0.50
IKBKB O14920 1/20 0.44
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL3786768 0.93 HSD17B10 (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3783547 0.90 MAOA (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3790365 0.85 KDM4E (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3792730 0.84 ALDH1A1 (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13862759 0.78 MEN1 (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3784681 0.78 HSD17B10 (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3785288 0.78 ALDH1A1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8379572 0.77 MAPT (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1568661 0.77 ALDH1A1 (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL27955 0.77 PDE7A (0.54) KDM4EALDH1A1MAPTMEN1KMT2A

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 KDM4E 2606/4885ALDH1A1 4339/4885MAPT 3312/4885

“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.