SCHEMBL5799192

SCHEMBL5799192

O=C/C=C/c1ccc(-c2ncccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
TRPA1 O75762 1/20 0.52
ALOX5 P09917 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
CLK4 Q9HAZ1 1/20 0.41
ADRB2 P07550 1/20 0.41
XDH P47989 2/20 0.40
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
HDAC4 P56524 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5799195 1.00 ALDH1A1 (0.52) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL5802059 0.80 LMNA (0.52) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL5802056 0.80 LMNA (0.52) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL6656718 0.80 CCNB2 (0.51) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL6656713 0.80 CCNB2 (0.51) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL6877018 0.80 ALDH1A1 (0.41) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL6877013 0.80 ALDH1A1 (0.41) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL1124023 0.79 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1KDM4EMAPT
SCHEMBL6878533 0.76 XDH (0.39) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL6878523 0.76 XDH (0.39) ALDH1A1LMNATRPA1ALOX5MAPK1

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
WO-2006047167-A2 9 ALKYL AND 9 ALKYLIDENYL 6-0 ALKYL-11, 12 CARBAMATE KETOLIDE ANTIMICROBIALS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
CN-1671726-A 3-descladinosyl-6-O-carbamoyl and 6-O-alkoxycarbonyl macrolide antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2005-09-21 CN disclosed
EP-1513856-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP 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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-6825172-B2 BACTERICIDES; AGAINST GRAMNEGATIVE, GRAMPOSITIVE BACTERIA JANSSEN PHARMACEUTICA, NV (BE) 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
EP-1430068-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-06-23 EP disclosed
US-6713455-B2 A BICYCLIC HETEROAROMATIC COMPOUND CONTAINING TWO KETO, TWO ESTER, A CARBAMATE GROUPS AND A METHYL, HYDROXY AND AMINE SUBSTITUTED OXYPYRAN RING; USEFUL ANTIBACTERIAL AGENT FOR TREATING PNEUMONIA, SKIN, SOFT TISSUE AND BONE INFECTIONS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-30 US disclosed
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-29 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-03 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
WO-2003024986-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-03-27 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
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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 (5 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 ALDH1A1 2109/4885LMNA 4303/4885TRPA1 4716/4885
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 ALDH1A1 2289/4885LMNA 3417/4885TRPA1 4580/4885
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents CHCHD6, MRPL21, MRPS18B ALDH1A1 4053/4885LMNA 3091/4885TRPA1 4718/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885LMNA 4459/4885TRPA1 4699/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885LMNA 4263/4885TRPA1 4690/4885

“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.