SCHEMBL3227136

SCHEMBL3227136

CCOC(=O)c1cc(C#N)c(=O)[nH]c1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
ALDH1A1 P00352 7/20 0.72
KMT2A Q03164 7/20 0.72
MEN1 O00255 4/20 0.72
RXFP1 Q9HBX9 1/20 0.72
LMNA P02545 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
GAA P10253 4/20 0.62
POLB P06746 3/20 0.62
NPC1 O15118 1/20 0.62
KDM4E B2RXH2 8/20 0.58
GLA P06280 1/20 0.58
ATM Q13315 1/20 0.58
HPGD P15428 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 3/20 0.53
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL5316100 0.87 KDM4E (0.57) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL10746252 0.87 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL9673214 0.86 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL4105396 0.86 MAPT (0.58) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL10748109 0.85 MAPT (0.54) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL10746820 0.85 KDM4E (0.53) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL22115166 0.85 MAPT (0.56) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL10378084 0.84 ALDH1A1 (1.00) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL10748498 0.84 ALDH1A1 (0.53) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL3587530 0.83 MAPT (0.55) MAPTALDH1A1KMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-4849522-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS (US) 1989-07-18 US disclosed
US-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 US disclosed
US-4732982-A Novel alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-22 US disclosed
US-4731371-A Certain 5-acyl-1,2-dihydro-2-oxo-3-pyridinecarbonitriles which are useful as cardiotonic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-15 US disclosed
US-4657919-A CARDIOVASCULAR DISORDERS E. I. DU PONT DE NEMOURS & CO. (US) 1987-04-14 US disclosed
EP-0124090-B1 5-ACYL-2-(1H)-PYRIDINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
US-4568751-A 5-Acyl-2-(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1986-02-04 US disclosed
US-4555517-A Pyridone esters as inotropic agents AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-11-26 US disclosed
EP-0140375-A2 Alkoxyimino ether derivatives of 5-acyl-2(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1985-05-08 EP disclosed
EP-0124090-A1 5-Acyl-2-(1H)-pyridinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-11-07 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 MAPT 66/4885ALDH1A1 1904/4885KMT2A 361/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 MAPT 66/4885ALDH1A1 1904/4885KMT2A 361/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MAPT 4006/4885ALDH1A1 2364/4885KMT2A 3283/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MAPT 4006/4885ALDH1A1 2364/4885KMT2A 3283/4885

“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.