SCHEMBL3789200

SCHEMBL3789200

NCc1cc(N)cc(-c2ccc(N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
HRH3 Q9Y5N1 1/20 0.48
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.48
TAAR1 Q96RJ0 5/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KIF11 P52732 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
SCHEMBL3790239 0.85 TAAR1 (0.56) LOXL2HRH3CYP3A4TDP1ALDH1A1
SCHEMBL3787145 0.81 CYP3A4 (0.46) LOXL2CYP3A4TDP1ALDH1A1TP53
SCHEMBL3794625 0.79 MAOA (0.54) LOXL2CYP3A4ALDH1A1TAAR1CYP19A1
SCHEMBL3787138 0.79 LOXL2 (0.83) LOXL2HRH3CYP3A4TDP1ALDH1A1
SCHEMBL16910639 0.78 CYP3A4 (0.69) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL3644396 0.78 CYP3A4 (0.69) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL3720966 0.77 LOXL2 (0.56) LOXL2HRH3CYP3A4TDP1ALDH1A1
Hydrochloric Acid SCHEMBL31716096 0.77 LOXL2 (0.79) LOXL2HRH3CYP3A4TDP1ALDH1A1
SCHEMBL10431191 0.75 LOXL2 (0.50) LOXL2HRH3CYP3A4ALDH1A1TP53
SCHEMBL11434386 0.75 LOXL2 (0.50) LOXL2HRH3CYP3A4ALDH1A1TP53

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 LOXL2 1544/4885HRH3 169/4885CYP3A4 177/4885

“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.