SCHEMBL455637

SCHEMBL455637

N#Cc1cc(C=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
XDH P47989 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CHEK1 O14757 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.34
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
NPY5R Q15761 1/20 0.33
CYP2A6 P11509 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL28166485 0.98 MYC (0.41) MYCXDHABCG2CHEK1ALDH1A1
SCHEMBL13461069 0.81 MYC (0.49) MYCXDHABCG2ALDH1A1NPY5R
SCHEMBL31044560 0.80 ALDH1A1 (0.33) ALDH1A1KDM4ELMNASMN1; SMN2PTGS2
SCHEMBL4409572 0.80 MYC (0.39) MYCXDHABCG2CHEK1ALDH1A1
SCHEMBL22031557 0.80 ALDH1A1 (0.33) ALDH1A1KDM4ELMNASMN1; SMN2PTGS2
SCHEMBL3465367 0.77 MYC (0.48) MYCXDHABCG2ALDH1A1KDM4E
SCHEMBL1145783 0.76 MYC (0.36) MYCXDHABCG2CHEK1ALDH1A1
SCHEMBL1145728 0.76 MYC (0.36) MYCXDHABCG2ALDH1A1KDM4E
SCHEMBL2953977 0.75 KDM4E (0.45) MYCALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2953973 0.75 KDM4E (0.45) MYCALDH1A1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 US disclosed
CN-121873041-A Topiramate preparation method of special 山东新时代药业有限公司 2026-04-17 CN disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
US-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-08-07 US disclosed
EP-4583972-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-07-16 EP disclosed
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-06-19 US disclosed
CN-119684267-A Topiramate Special synthetic method 山东新时代药业有限公司 2025-03-25 CN disclosed
CN-119684267-A Topiramate Special synthetic method 山东新时代药业有限公司 2025-03-25 CN disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO 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
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US disclosed
US-6265417-B1 MUSCLE RELAXANTS ABBOTT LABORATORIES 2001-07-24 US disclosed
US-5216170-A Promoters of livestock; treatment of obesity BAYER AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
US-5028617-A Heteroarylethanol-pyridylalkylamines for controlling animal growth BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0379928-A2 Aryl- and heteroarylethanol-pyridylalkylamines, process for their preparation and their use as performance stimulators by animals and as anti-adipositas agent BAYER AG (DE) 1990-08-01 EP disclosed
US-4863939-A Heteroarylethylamine as production promoters in livestock BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0256420-A2 Heteroarylethyl amines, process for their synthesis and their use in the promotion of animal performance BAYER AG (DE) 1988-02-24 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 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 (6 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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 MYC 3239/4885XDH 2733/4885ABCG2 98/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 MYC 3239/4885XDH 2733/4885ABCG2 98/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 MYC 3039/4885XDH 2535/4885ABCG2 111/4885
US-20010036950-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 MYC 3169/4885XDH 1507/4885ABCG2 1598/4885
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 MYC 2020/4885XDH 3365/4885ABCG2 7/4885
US-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 MYC 2020/4885XDH 3365/4885ABCG2 7/4885

“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.