SCHEMBL6651332

SCHEMBL6651332

O=C/C=C/c1ccc2cccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
ATM Q13315 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL6651334 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL9970465 0.88 NPC1 (0.54) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL6653258 0.87 NPC1 (0.62) ALDH1A1MEN1KMT2ACASP1HTT
SCHEMBL6653261 0.87 NPC1 (0.62) ALDH1A1MEN1KMT2ACASP1HTT
SCHEMBL24817285 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL29955934 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL401692 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL27466069 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL6656717 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL9000576 0.79 NPC1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589277-A 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO MCNEIL PHARM INC (US) 2005-03-02 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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 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-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 (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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 ALDH1A1 2109/4885MEN1 4580/4885KMT2A 565/4885
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 ALDH1A1 2289/4885MEN1 3720/4885KMT2A 1185/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885MEN1 4129/4885KMT2A 673/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885MEN1 3933/4885KMT2A 657/4885

“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.