SCHEMBL6237649

SCHEMBL6237649

O=CC#Cc1cnc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.44
ACACB O00763 1/20 0.44
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
MGAM O43451 1/20 0.44
RAB9A P51151 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
EGFR P00533 1/20 0.39
KDR P35968 2/20 0.39
LCK P06239 1/20 0.39
TEK Q02763 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2A6 P11509 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL232457 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL27594280 0.79 ALDH1A1 (0.54) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL18253192 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL6854101 0.79 NPC1 (0.49) ALDH1A1ACACBPDGFRBPDGFRARAB9A
SCHEMBL4818276 0.77 ALDH1A1 (0.63) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL7214768 0.77 ALDH1A1 (0.63) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
Formic Acid SCHEMBL30950287 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL27614825 0.75 ALDH1A1 (0.59) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL547195 0.75 ALDH1A1 (0.59) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL23781564 0.73 ALDH1A1 (0.71) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310934-C Erythromycin 6-O-carbamoylketolide derivatives useful as antibacterial agents ORTHO MCNEIL PHARM INC (US) 2007-04-18 CN disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-20050014707-A1 6,11-4C-bicyclic 9a-azalide derivatives WANG GUOQIANG (US) 2005-01-20 US disclosed
WO-2005000863-A2 6, 11-4C-BICYCLIC 9A-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
CN-1543472-A 6-o-carbamoyl ketolide antibacterials ����-������ҩƷ��˾ 2004-11-03 CN disclosed
WO-2004087728-A2 6,11-3C-BICYCLIC 9A-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2004-10-14 WO disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-6764998-B1 BACTERICIDES FOR INFECTIONS ENANTA PHARMACEUTICALS, INC. 2004-07-20 US disclosed
EP-1373289-A1 9-AMINO-14-MEMBERED MACROLIDE DERIVED FROM LEUCOMYCIN Enanta Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
US-6645941-B1 Bactericides, antiprotozoa agents ENANTA PHARMACEUTICALS, INC. 2003-11-11 US disclosed
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
WO-2002081493-A1 9-AMINO-14-MEMBERED MACROLIDE DERIVED FROM LEUCOMYCIN ENANTA PHARMACEUTICALS, INC. (US) 2002-10-17 WO disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
US-6436906-B1 NOVEL MACROLIDES HAVING ANTIBACTERIAL ACTIVITY TOWARD GRAMPOSITIVE AND GRAMNEGATIVE BACTERIA AS WELL AS MACROLIDE RESISTANT GRAMPOSITIVES ENANTA PHARMACEUTICALS, INC. 2002-08-20 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 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 (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-20050014707-A1 6,11-4C-bicyclic 9a-azalide derivatives CYP2C9, CYP2C19, CYP3A7 ALDH1A1 271/4885CYP1A2 29/4885ACACB 669/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885CYP1A2 2899/4885ACACB 2193/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885CYP1A2 3028/4885ACACB 2121/4885

“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.