SCHEMBL6435855

SCHEMBL6435855

Cc1ccc(C=O)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 7/20 0.42
CYP2A6 P11509 5/20 0.41
ALDH1A3 P47895 2/20 0.40
EGFR P00533 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
FDPS P14324 1/20 0.37
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL29956523 1.00 TSHR (0.43) TSHRALDH1A1CYP2A6ALDH1A3EGFR
SCHEMBL1795902 0.84 TSHR (0.43) TSHRALDH1A1CYP2A6ALDH1A3EGFR
SCHEMBL21479597 0.82 XDH (0.44) TSHRALDH1A1KDM4EPTGS2
SCHEMBL6899726 0.81 ALDH1A1 (0.47) TSHRALDH1A1CYP2A6EGFRKDM4E
SCHEMBL16958999 0.80 TSHR (0.43) TSHRALDH1A1EGFRKDM4EPTGS2
SCHEMBL16952815 0.80 TSHR (0.43) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL16249165 0.80 ALDH1A1 (0.42) TSHRALDH1A1CYP2A6ALDH1A3KDM4E
SCHEMBL20590003 0.78 ALDH1A1 (0.39) TSHRALDH1A1CYP2A6ALDH1A3EGFR
SCHEMBL13630983 0.77 ALDH1A1 (0.40) TSHRALDH1A1CYP2A6ALDH1A3EGFR
SCHEMBL1395746 0.77 ALDH1A1 (0.40) TSHRALDH1A1CYP2A6ALDH1A3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258329-B2 Pyrimidone derivatives as selective cytotoxic agents against HIV infected cells MERCK SHARP & DOHME LLC (US) 2025-03-25 US disclosed
CN-114026081-B Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东有限责任公司 2025-02-11 CN disclosed
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 US disclosed
EP-3972965-B1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-07-03 EP disclosed
US-11999746-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-04 US disclosed
EP-3898595-B1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-05-01 EP disclosed
WO-2023208151-A1 USP INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION 北京华森英诺生物科技有限公司 2023-11-02 WO disclosed
CN-116621778-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-08-22 CN disclosed
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 US disclosed
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-08-04 US disclosed
WO-2016011930-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-28 WO disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
EP-2906216-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2015-08-19 EP disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
WO-2014057415-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2014-04-17 WO disclosed
WO-2013116491-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS AND METHODS FOR USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 WO disclosed
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 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 (7 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-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 TSHR 2934/4885ALDH1A1 2913/4885CYP2A6 1259/4885
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 TSHR 4565/4885ALDH1A1 3693/4885CYP2A6 1317/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B TSHR 4736/4885ALDH1A1 2222/4885CYP2A6 2142/4885
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS PRUNE1, G6PD, ACIN1 TSHR 4614/4885ALDH1A1 1817/4885CYP2A6 1622/4885
US-11999746-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B TSHR 4736/4885ALDH1A1 2222/4885CYP2A6 2142/4885
US-12258329-B2 Pyrimidone derivatives as selective cytotoxic agents against HIV infected cells TYMP, PNP, CD4 TSHR 4499/4885ALDH1A1 2371/4885CYP2A6 3117/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS TSHR 2596/4885ALDH1A1 397/4885CYP2A6 1104/4885

“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.