SCHEMBL501406

SCHEMBL501406

Cc1cc(C)cc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP2A6 P11509 1/20 0.52
TTR P02766 2/20 0.46
ALB P02768 2/20 0.46
GRM5 P41594 4/20 0.41
XDH P47989 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.38
KCNH2 Q12809 1/20 0.38
VCAM1 P19320 1/20 0.37
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
ACHE P22303 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL1004620 0.94 ALDH1A1 (0.52) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL29791324 0.87 ALDH1A1 (0.57) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL1639085 0.87 ALDH1A1 (0.57) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL6741465 0.82 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL2160734 0.82 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL254589 0.82 TTR (0.43) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL16962561 0.82 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL18934332 0.82 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL3258882 0.82 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL255241 0.82 GRM5 (0.45) ALDH1A1CYP2A6TTRALBGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485121-B2 Antiviral agents for the treatment and prevention of HIV infection PHARMASYNTEZ, JOINT STOCK COMPANY (RU) 2025-12-02 US claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-113720926-B Method for detecting impurity content in itraconazole intermediate 1 浙江致新医药科技有限公司 2023-05-09 CN claimed
US-20230120294-A1 ANTIVIRAL AGENTS FOR THE TREATMENT AND PREVENTION OF HIV INFECTION PHARMASYNTEZ, JOINT STOCK COMPANY (RU) 2023-04-20 US claimed
EP-4107156-A1 PYRIMIDINE-BASED BICYCLES AS ANTIVIRAL AGENTS FOR THE TREATMENT AND PREVENTION OF HIV INFECTION Joint Stock Company "Pharmasyntez" (RU) 2022-12-28 EP claimed
CN-115279757-A Pyrimidine bicyclic compounds as antiviral agents for the treatment and prevention of HIV infection 法玛西泰股份公司 2022-11-01 CN claimed
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-08-04 US claimed
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-03-03 US claimed
US-20260071247-A1 PRODUCTS FOR REGULATION OF EUKARYOTIC AND MICROBIAL CELLS GROWTH TETS VICTOR (US) 2026-03-12 US disclosed
US-20260071248-A1 PRODUCTS FOR REGULATION OF EUKARYOTIC AND MICROBIAL CELLS GROWTH TETS VICTOR (US) 2026-03-12 US disclosed
US-20260071249-A1 PRODUCTS FOR REGULATION OF EUKARYOTIC AND MICROBIAL CELLS GROWTH TETS VICTOR (US) 2026-03-12 US disclosed
US-12485121-B2 Antiviral agents for the treatment and prevention of HIV infection PHARMASYNTEZ, JOINT STOCK COMPANY (RU) 2025-12-02 US disclosed
WO-2025245178-A1 PAK4, CSTF2, OR CSTF2T PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS INNOVO THERAPEUTICS, INC. (US) 2025-11-27 WO disclosed
WO-2025202185-A1 PROCESS FOR THE FUNCTIONALIZATION OF AN AROMATIC OR HETEROAROMATIC AMINO COMPOUND STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2025-10-02 WO disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
EP-1151990-A1 Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-07 EP disclosed
EP-0934257-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-11 EP disclosed
US-5780505-A ADMINISTERING AS SMOOTH MUSCLE RELAXANT AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-14 US disclosed
WO-1998002413-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-22 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 (8 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-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS TYMP, PNP, CD4 ALDH1A1 2371/4885CYP2A6 3117/4885TTR 2015/4885
US-20260071248-A1 PRODUCTS FOR REGULATION OF EUKARYOTIC AND MICROBIAL CELLS GROWTH C1S, C5, EIF6 ALDH1A1 4194/4885CYP2A6 1687/4885TTR 3200/4885
US-20260071249-A1 PRODUCTS FOR REGULATION OF EUKARYOTIC AND MICROBIAL CELLS GROWTH EIF2A, EIF6, TUFM ALDH1A1 4636/4885CYP2A6 4244/4885TTR 1563/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ALDH1A1 26/4885CYP2A6 90/4885TTR 1583/4885
US-12485121-B2 Antiviral agents for the treatment and prevention of HIV infection TYMP, TYMS, UMPS ALDH1A1 2749/4885CYP2A6 2172/4885TTR 3140/4885
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS PRUNE1, G6PD, ACIN1 ALDH1A1 1817/4885CYP2A6 1622/4885TTR 3580/4885
US-20260071247-A1 PRODUCTS FOR REGULATION OF EUKARYOTIC AND MICROBIAL CELLS GROWTH AMPD1, TUFM, AMPD3 ALDH1A1 4680/4885CYP2A6 3955/4885TTR 1410/4885
US-20230120294-A1 ANTIVIRAL AGENTS FOR THE TREATMENT AND PREVENTION OF HIV INFECTION TYMP, TYMS, UMPS ALDH1A1 2749/4885CYP2A6 2172/4885TTR 3140/4885

“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.