SCHEMBL3790205

SCHEMBL3790205

Nc1ccccc1-c1cccc(N)c1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HPGD P15428 4/20 0.42
TSHR P16473 2/20 0.42
KEAP1 Q14145 2/20 0.42
IDO1 P14902 4/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
ADORA2A P29274 2/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
PTPRC P08575 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
KCNN4 O15554 1/20 0.39

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
SCHEMBL8166926 0.92 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL398474 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL3644248 0.86 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL29781768 0.82 CYP3A4 (0.48) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL19208273 0.82 CYP3A4 (0.48) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL12480566 0.82 TSHR (0.50) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL3785815 0.81 ALDH1A1 (0.62) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL31607672 0.81 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL169281 0.81 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL17023694 0.81 TSHR (0.48) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2HPGD

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 ALDH1A1 4339/4885L3MBTL1 3838/4885HSD17B10 1100/4885

“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.