SCHEMBL286401

SCHEMBL286401

COc1cc(C=O)ccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TSHR P16473 1/20 0.61
TRIM24 O15164 1/20 0.56
HPGD P15428 1/20 0.56
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
FDPS P14324 1/20 0.53
AOX1 Q06278 1/20 0.51
AR P10275 8/20 0.49
TTR P02766 1/20 0.49
ALDH1A3 P47895 1/20 0.47
IMPDH2 P12268 2/20 0.47
IMPDH1 P20839 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.46
PGR P06401 1/20 0.45

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
SCHEMBL31261976 1.00 ALDH1A1 (0.61) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL481230 0.89 ALDH1A1 (0.67) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL29953528 0.89 ALDH1A1 (0.67) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL16180271 0.83 AR (0.51) ALDH1A1TSHRTRIM24TRIM33AR
SCHEMBL16954450 0.82 AR (0.49) ALDH1A1ARIMPDH2IMPDH1KDM4E
SCHEMBL22031541 0.82 ALDH1A1 (0.61) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL15155225 0.82 TRPA1 (0.56) ALDH1A1ARIMPDH2IMPDH1KDM4E
SCHEMBL28889415 0.82 ESRRA (0.63) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL29965683 0.82 ESRRA (0.63) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL5343920 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTRIM24HPGDALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775164-A Preparation method of 4-cyano-3-methoxybenzaldehyde 浙江工业大学 2025-04-08 CN claimed
WO-2026107227-A1 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2026-05-21 WO disclosed
US-20250360141-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS cGAS INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-11-27 US disclosed
US-12433897-B2 Pyridine derivatives with n-linked cyclic substituents as cGAS inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-10-07 US disclosed
CN-119775164-A Preparation method of 4-cyano-3-methoxybenzaldehyde 浙江工业大学 2025-04-08 CN disclosed
CN-119775164-A Preparation method of 4-cyano-3-methoxybenzaldehyde 浙江工业大学 2025-04-08 CN disclosed
CN-119775164-A Preparation method of 4-cyano-3-methoxybenzaldehyde 浙江工业大学 2025-04-08 CN disclosed
CN-119119062-A Pyridine derivatives having N-linked cyclic substituents as cGAS inhibitors 勃林格殷格翰国际有限公司 2024-12-13 CN disclosed
CN-119119063-A Pyridine derivatives having N-linked cyclic substituents as cGAS inhibitors 勃林格殷格翰国际有限公司 2024-12-13 CN disclosed
CN-118994148-A Preparation method and intermediate of non-neridrone 奥锐特药业股份有限公司 2024-11-22 CN disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed
WO-2013028474-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed
EP-1704161-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS Endorecherche, Inc. (CA) 2006-09-27 EP disclosed
US-20050250749-A1 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. 2005-11-10 US disclosed
WO-2005066194-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS ENDORECHERCHE, INC. (CA) 2005-07-21 WO 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 (4 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-20050250749-A1 Helix 12 directed pharmaceutical products SHBG, AR, NR5A1 ALDH1A1 2314/4885TSHR 3672/4885TRIM24 950/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1376/4885TSHR 1257/4885TRIM24 2294/4885
US-20250360141-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS cGAS INHIBITORS CGAS, GLS2, GMPS ALDH1A1 1206/4885TSHR 1727/4885TRIM24 3159/4885
US-12433897-B2 Pyridine derivatives with n-linked cyclic substituents as cGAS inhibitors CGAS, GLS2, GMPS ALDH1A1 1112/4885TSHR 1652/4885TRIM24 3136/4885

“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.