SCHEMBL3787576

SCHEMBL3787576

Nc1ccc(C(F)(F)F)c(-c2ccccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
GLA P06280 1/20 0.52
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDK2 Q15119 2/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.41
HPGD P15428 3/20 0.40
PTPRC P08575 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 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
SCHEMBL2808894 0.86 TSHR (0.67) TSHRPOLBGAAGLAALDH1A1
SCHEMBL3790634 0.85 TSHR (0.74) TSHRPOLBGAAGLAALDH1A1
SCHEMBL2478064 0.85 TSHR (0.57) TSHRPOLBGAAGLAALDH1A1
Hydrochloric Acid SCHEMBL6574273 0.84 POLB (0.55) TSHRPOLBGAAGLAALDH1A1
SCHEMBL397945 0.82 ALDH1A1 (0.59) TSHRPOLBGAAGLAALDH1A1
SCHEMBL693143 0.81 TSHR (0.62) TSHRPOLBGAAGLAALDH1A1
SCHEMBL22606814 0.80 TSHR (0.65) TSHRPOLBGAAGLAALDH1A1
SCHEMBL22607080 0.80 TSHR (0.65) TSHRPOLBGAAGLAALDH1A1
SCHEMBL22606686 0.80 TSHR (0.65) TSHRPOLBGAAGLAALDH1A1
SCHEMBL22606819 0.80 TSHR (0.65) TSHRPOLBGAAGLAALDH1A1

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 TSHR 1688/4885POLB 2303/4885GAA 1755/4885

“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.