SCHEMBL3785699

SCHEMBL3785699

Nc1ccccc1-c1cccc(N)c1Sc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 1/20 0.45
ADORA2A P29274 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NSD2 O96028 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM1A O60341 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL3783624 0.86 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E
SCHEMBL3781813 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E
SCHEMBL3806744 0.79 MAOA (0.48) ALDH1A1HSD17B10ADORA2AKDM4EMAPT
SCHEMBL3783514 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E
SCHEMBL3790383 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E
SCHEMBL3793122 0.76 TSHR (0.48) ALDH1A1KDM4EKDM1ASMN1; SMN2HPGD
Diphenylsulfane SCHEMBL19712994 0.75 ALDH1A1 (0.74) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E
SCHEMBL3791406 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E
SCHEMBL3780720 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E
SCHEMBL3790087 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10ADORA2AKDM4E

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 3838/4885HSD17B10 1100/4885

“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.