SCHEMBL7045556

SCHEMBL7045556

CCC(C=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
KCNN4 O15554 3/20 0.40
KCNA5 P22460 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL30434450 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL27626896 0.82 CFTR (0.44) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL3535783 0.82 CFTR (0.44) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL27508499 0.82 CFTR (0.44) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL22383612 0.77 CYP3A4 (0.39) SMN1; SMN2LMNASLC6A2SLC6A4SLC6A3
SCHEMBL9682763 0.77 NAPRT (0.42) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL28900068 0.77 CYP2A6 (0.44) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL13452609 0.77 LMNA (0.46) SMN1; SMN2LMNAL3MBTL1KDM4EMAPT
SCHEMBL218804 0.77 LMNA (0.46) SMN1; SMN2LMNAL3MBTL1KDM4EMAPT
SCHEMBL3276260 0.77 LMNA (0.46) SMN1; SMN2LMNAL3MBTL1KDM4EMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1208403-A Compounds BRITISH ASTRA PHARMACEUTICALS (GB) 1999-02-17 CN claimed
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20030045523-A1 Nicotinic cholinergic receptor antagonists SCHMITT JEFFREY DANIEL (US) 2003-03-06 US disclosed
US-6432975-B1 AROMATIC ALKYLENE AZOBICYCLIC COMPOUNDS AS NICOTINIC RECEPTOR ANTAGONISTS; ANTIDEPRESSANTS; NERVOUS SYSTEM DISORDER TREATMENT TARGACEPT, INC. 2002-08-13 US disclosed
CN-1208403-A Compounds BRITISH ASTRA PHARMACEUTICALS (GB) 1999-02-17 CN 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 (3 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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 SMN1; SMN2 4347/4885LMNA 2146/4885L3MBTL1 3751/4885
US-20030045523-A1 Nicotinic cholinergic receptor antagonists CHRNG, CHRNB1, CHRNA1 SMN1; SMN2 2009/4885LMNA 3110/4885L3MBTL1 4138/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 SMN1; SMN2 4815/4885LMNA 3392/4885L3MBTL1 3839/4885

“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.