SCHEMBL3781675

SCHEMBL3781675

CC(=O)Oc1ccc(-c2ccccc2N)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.45
BACE1 P56817 3/20 0.43
NR3C1 P04150 1/20 0.43
GAPDH P04406 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 2/20 0.42
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 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
SCHEMBL3792139 0.88 BACE1 (0.43) CFDBACE1GAPDHADORA3ADORA2A
SCHEMBL28661214 0.85 CFD (0.59) CFDBACE1NR3C1GAPDHHSD17B10
SCHEMBL3784778 0.84 CFD (0.56) CFDBACE1NR3C1ADORA3ADORA2A
SCHEMBL3793664 0.81 ALDH1A1 (0.37) BACE1HSD17B10ALDH1A1LMNAGAA
SCHEMBL3785193 0.79 ELANE (0.51) BACE1GAPDHHSD17B10ALDH1A1KDM4E
SCHEMBL3787213 0.79 CFD (0.53) CFDBACE1NR3C1GAPDHHSD17B10
SCHEMBL3787032 0.78 ALDH1A1 (0.55) ADORA3ADORA2AHSD17B10TSHRALDH1A1
SCHEMBL3787231 0.78 PTGS2 (0.50) HSD17B10TSHRALDH1A1KDM4EESR1
SCHEMBL3793282 0.78 LMNA (0.51) BACE1GAPDHADORA2AHSD17B10ALDH1A1
SCHEMBL3785758 0.78 CFD (0.49) CFDBACE1NR3C1ADORA3ADORA2A

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 CFD 3738/4885BACE1 925/4885NR3C1 1045/4885

“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.