SCHEMBL3790495

SCHEMBL3790495

Nc1cccc(-c2cc(N)ccc2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAOA P21397 1/20 0.45
MAP4K4 O95819 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
BRD4 O60885 1/20 0.41
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
MEN1 O00255 1/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL3781311 0.89 PTGDR2 (0.50) ALDH1A1MAPTKDM4EMAOAPTGDR2
SCHEMBL3788768 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMAOAMAP4K4
SCHEMBL3787028 0.85 MAOA (0.50) ALDH1A1MAPTKDM4EMAOAMAP4K4
SCHEMBL3792060 0.84 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPTGDR2CYP3A4
SCHEMBL3794222 0.83 MAOA (0.47) ALDH1A1MAPTKDM4EMAOAMAP4K4
SCHEMBL18605122 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMAOAMAP4K4
SCHEMBL3785999 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMAOAMAP4K4
SCHEMBL18605442 0.78 TSHR (0.47) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL3787209 0.78 MAOA (0.50) ALDH1A1MAPTKDM4EMAOAMAP4K4
SCHEMBL25632076 0.76 MAOA (0.56) ALDH1A1MAPTKDM4EMAOAMAP4K4

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 4339/4885MAPT 3312/4885KDM4E 2606/4885

“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.