SCHEMBL1004620

SCHEMBL1004620

Cc1cc(C#N)cc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP2A6 P11509 1/20 0.52
TTR P02766 2/20 0.46
ALB P02768 2/20 0.46
GRM5 P41594 3/20 0.41
XDH P47989 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.38
VCAM1 P19320 1/20 0.37
TSHR P16473 1/20 0.36
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
SCHEMBL501406 0.94 ALDH1A1 (0.52) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL3258882 0.87 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL16962561 0.87 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL18934332 0.87 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL22477339 0.83 CYP2A6 (0.39) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL10204233 0.83 ALDH1A1 (0.39) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL60145 0.83 TTR (0.50) ALDH1A1CYP2A6TTRALBMEN1
SCHEMBL6741465 0.82 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL2160734 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 520 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN claimed
EP-3337655-B1 METHODS FOR RETREADING TIRES EMPLOYING CUSHION GUM WITH STABLE DINITRILE OXIDE CURE SYSTEM BRIDGESTONE AMERICAS TIRE OPERATIONS LLC (US) 2020-09-23 EP claimed
EP-2529388-B1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY MICROMASS LTD (GB) 2019-10-23 EP claimed
US-20130122599-A1 Fragmentation Reagents For Mass Spectrometry MICROMASS UK LIMITED (GB) 2013-05-16 US claimed
EP-1841802-B1 THIN WALLED POLYNITRILE OXIDE CROSSLINKED RUBBER FILM PRODUCTS AND METHODS OF MANUFACTURE THEREOF I FLOW CORP (US) 2011-06-08 EP claimed
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMA INC (US) 2026-03-05 US disclosed
CN-120092029-A Resin composition, cured product, prepreg, metal foil-clad laminate, resin composite sheet, and printed wiring board 三菱瓦斯化学株式会社 2025-06-03 CN disclosed
CN-114787120-B Compound and method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-08-09 CN disclosed
US-12048238-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-23 US disclosed
US-20240244950-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244870-A1 LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed
US-5879657-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-03-09 US disclosed
EP-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 EP disclosed
CN-1122577-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders DU PONT MERCK PHARMA (US) 1996-05-15 CN disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 EP disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
EP-0052437-A1 Antibacterial compounds, processes for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-05-26 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 (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-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C9, SSB, C1S ALDH1A1 3835/4885CYP2A6 3871/4885TTR 193/4885
US-12048238-B2 Organometallic compound and organic light-emitting device including the same TRPC1, PPOX, LAGE3 ALDH1A1 654/4885CYP2A6 4557/4885TTR 3131/4885
US-20240244950-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME EML4, DNMT3L, LIN28A ALDH1A1 818/4885CYP2A6 2799/4885TTR 3281/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 ALDH1A1 409/4885CYP2A6 1049/4885TTR 2913/4885

“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.