SCHEMBL3786040

SCHEMBL3786040

CC(=O)Oc1cc(-c2cccc(N)c2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
CFD P00746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.43
MAP4K4 O95819 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL8681017 0.88 ALDH1A1 (0.55) CFDALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL3785758 0.88 CFD (0.49) MCL1CFDALDH1A1CYP3A4TDP1
SCHEMBL3784538 0.87 HDAC2 (0.54) CFDALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL3787915 0.85 CFD (0.49) CFDALDH1A1CYP3A4HSD17B10TDP1
Acetamide SCHEMBL5081796 0.85 ALDH1A1 (0.52) CFDALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL3792743 0.82 MCL1 (0.43) MCL1ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL26944947 0.81 ALDH1A1 (0.46) MCL1CFDALDH1A1HSD17B10TDP1
Diacetamide SCHEMBL5081802 0.81 CFD (0.47) CFDALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL3783548 0.81 LMNA (0.65) MCL1CYP3A4HSD17B10TDP1LMNA
SCHEMBL3790372 0.80 SMN1; SMN2 (0.43) MCL1CFDALDH1A1HSD17B10TDP1

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 MCL1 3100/4885CFD 3738/4885ALDH1A1 4339/4885

“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.