SCHEMBL3787212

SCHEMBL3787212

Nc1ccc(-c2ccccc2N)c(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
PTPRC P08575 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL3785958 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10NPC1RAB9A
SCHEMBL3784711 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10NPC1RAB9A
SCHEMBL3794284 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL3790106 0.81 PTGDR2 (0.46) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL14744118 0.78 TSHR (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL6011318 0.78 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10NPC1RAB9A
SCHEMBL3791666 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10NPC1RAB9A
SCHEMBL3781954 0.76 CYP3A4 (0.42) ALDH1A1HSD17B10CYP3A4TP53TSHR
SCHEMBL8894883 0.75 PTPRC (0.46) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6011299 0.75 ALDH1A1 (0.39) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2

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.