SCHEMBL646259

SCHEMBL646259

C=CC(O)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MTOR P42345 1/20 0.30
PMP22 Q01453 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL7594286 0.89 ALDH1A1 (0.39) ALOX15TSHRALDH1A1MEN1KMT2A
SCHEMBL15388937 0.82 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL5368315 0.82 ALDH1A1 (0.30) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL24355544 0.78 CA1 (0.40) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL24355479 0.78 CA1 (0.40) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2357790 0.77 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL30365237 0.76 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL9555419 0.76 ALDH1A1 (0.33) TSHRALDH1A1MAPT
SCHEMBL5614870 0.76 ALDH1A1 (0.33) ALOX15TSHRALDH1A1
SCHEMBL387118 0.76 GABRA1 (0.48) CYP3A4ALOX15SMN1; SMN2CA1CA2

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675635-B Method for synthesizing 3-vinyl indole-2-ketone derivative with high stereoselectivity 常州大学 2025-06-24 CN claimed
CN-116375653-B Method for synthesizing chiral tetrahydroquinazoline derivative with high enantioselectivity 常州大学 2025-02-25 CN claimed
CN-116675635-A Method for synthesizing 3-vinyl indole-2-ketone derivative with high stereoselectivity 常州大学 2023-09-01 CN claimed
CN-116375653-A Method for synthesizing chiral tetrahydroquinazoline derivative with high enantioselectivity 常州大学 2023-07-04 CN claimed
EP-1414803-B1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-12-12 EP claimed
US-20040204470-A1 Pyrazoylcarboxanilides as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-10-14 US claimed
JP-6279390-A None JP disclosed
CN-116675635-B Method for synthesizing 3-vinyl indole-2-ketone derivative with high stereoselectivity 常州大学 2025-06-24 CN disclosed
CN-116675635-B Method for synthesizing 3-vinyl indole-2-ketone derivative with high stereoselectivity 常州大学 2025-06-24 CN disclosed
CN-116375653-B Method for synthesizing chiral tetrahydroquinazoline derivative with high enantioselectivity 常州大学 2025-02-25 CN disclosed
CN-116375653-B Method for synthesizing chiral tetrahydroquinazoline derivative with high enantioselectivity 常州大学 2025-02-25 CN disclosed
US-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2024-04-04 US disclosed
CN-116675635-A Method for synthesizing 3-vinyl indole-2-ketone derivative with high stereoselectivity 常州大学 2023-09-01 CN disclosed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 US disclosed
EP-0470578-A1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-02-12 EP disclosed
US-4963639-A (METH)ACRYLATED POLYURETHANE MITSUBISHI RAYON COMPANY, LTD. (JP) 1990-10-16 US disclosed
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 US disclosed
US-4009201-A PARTIALLY OR FULLY QUATERNIZED POLYAMINE ESTERS OF ACRYLIC ACIDS ALCOLAC INC. (US) 1977-02-22 US 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 (2 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-20040204470-A1 Pyrazoylcarboxanilides as fungicides CYP1A1, CYP1B1, CYP2E1 CYP3A4 9/4885ALOX15 4445/4885CASP1 22/4885
US-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR CYP3A4 4458/4885ALOX15 4571/4885CASP1 2383/4885

“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.