SCHEMBL6653966

SCHEMBL6653966

O=C/C=C/c1ccc(-c2cncnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
TRPA1 O75762 1/20 0.47
LMNA P02545 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.43
ERN1 O75460 3/20 0.42
XDH P47989 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
KDM1A O60341 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2A6 P11509 1/20 0.36
HDAC4 P56524 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 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
SCHEMBL6653970 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6753899 0.80 CYP2A6 (0.52) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6753897 0.80 CYP2A6 (0.52) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6756231 0.80 MAPT (0.52) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6756230 0.80 MAPT (0.52) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL1124024 0.79 ERN1 (0.52) ALDH1A1KDM4EATMERN1XDH
SCHEMBL6228670 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL2585038 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6755214 0.76 ATM (0.46) ATMERN1XDHHDAC1HDAC3
SCHEMBL1310214 0.76 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTTRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US 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
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-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

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 2109/4885KDM4E 18/4885MAPT 4142/4885
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 ALDH1A1 2289/4885KDM4E 39/4885MAPT 3534/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885KDM4E 2/4885MAPT 3982/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885KDM4E 3/4885MAPT 4095/4885

“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.