SCHEMBL4818276

SCHEMBL4818276

[CH2]C#Cc1cnc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 1/20 0.48
ACACB O00763 1/20 0.44
PDGFRB P09619 4/20 0.43
PDGFRA P16234 4/20 0.43
MGAM O43451 1/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
EGFR P00533 1/20 0.42
CYP2A6 P11509 1/20 0.41
BIRC5 O15392 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MTOR P42345 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL18253192 0.83 ALDH1A1 (0.65) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL7214768 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL6276483 0.81 ALDH1A1 (0.57) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL27614825 0.79 ALDH1A1 (0.59) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL547195 0.79 ALDH1A1 (0.59) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL23781564 0.77 ALDH1A1 (0.71) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL3061440 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL10162702 0.77 ALDH1A1 (0.71) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL21858115 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL372200 0.77 ALDH1A1 (1.00) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
CN-1984918-A Ketolide antibacterials ORTHO MCNEIL PHARM INC (US) 2007-06-20 CN claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
EP-1501519-A1 9-OXIME MACROLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP claimed
US-20040014691-A1 9-Oxime macrolide antibacterials ABBOTT LABORATORIES 2004-01-22 US claimed
WO-2003090761-A1 9-OXIME MACROLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
EP-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP claimed
US-6590083-B1 Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 US claimed
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 US claimed
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
CN-1984918-A Ketolide antibacterials ORTHO MCNEIL PHARM INC (US) 2007-06-20 CN disclosed
CN-1310934-C Erythromycin 6-O-carbamoylketolide derivatives useful as antibacterial agents ORTHO MCNEIL PHARM INC (US) 2007-04-18 CN disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 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 (2 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-20040014691-A1 9-Oxime macrolide antibacterials CYP2C9, CYP1B1, SULT1E1 ALDH1A1 946/4885CYP1A2 65/4885ACACB 3878/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 ALDH1A1 1363/4885CYP1A2 583/4885ACACB 2960/4885

“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.