SCHEMBL3789202

SCHEMBL3789202

CCOc1cc(N)cc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
PTGS2 P35354 1/20 0.45
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LTA4H P09960 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
MAOA P21397 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL3786792 0.88 CYP3A4 (0.68) TP53CYP3A4TSHRTDP1RXRA
SCHEMBL3790251 0.87 TDP1 (0.59) TP53CYP3A4TSHRTDP1RXRA
SCHEMBL28166768 0.87 RXRA (0.53) TP53CYP3A4TSHRTDP1RXRA
SCHEMBL3788613 0.81 TP53 (0.50) TP53CYP3A4TSHRTDP1NOTUM
SCHEMBL3790348 0.81 MAOB (0.62) PTGS2RAB9AMAOASMN1; SMN2MAPT
SCHEMBL28909325 0.80 RXRA (0.47) TP53TSHRRXRARXRBPTGS2
SCHEMBL3053111 0.79 CYP3A4 (0.55) CYP3A4TDP1RXRAALDH1A1NPC1
SCHEMBL21944819 0.79 CHRNB4 (0.53) TP53RXRARXRBPTGS2ALDH1A1
SCHEMBL2153419 0.78 TP53 (0.61) TP53CYP3A4TSHRTDP1ALDH1A1
SCHEMBL7043105 0.78 TP53 (0.61) TP53CYP3A4TSHRTDP1ALDH1A1

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 TP53 2819/4885CYP3A4 177/4885TSHR 1688/4885

“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.