SCHEMBL3785288

SCHEMBL3785288

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MEN1 O00255 2/20 0.47
ALOX15 P16050 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
PDE7A Q13946 4/20 0.44
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3790365 0.93 KDM4E (0.55) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL3791102 0.86 MAOA (0.55) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL3786768 0.86 HSD17B10 (0.48) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9631752 0.85 ALDH1A1 (0.61) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL3788208 0.81 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL18117133 0.79 CYP3A4 (0.45) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL3785445 0.79 HPGD (0.54) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL3784907 0.78 CYP3A4 (0.67) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL810880 0.78 SLC6A2 (0.53) ALDH1A1HPGDMAPTKDM4ETDP1
SCHEMBL3785585 0.78 KDM4E (0.50) ALDH1A1HPGDMAPTKDM4EHSD17B10

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 4339/4885HPGD 2790/4885MAPT 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.