SCHEMBL6656795

SCHEMBL6656795

[CH2]/C=C/c1ccc(-c2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
CYP11B1 P15538 11/20 0.44
CYP11B2 P19099 11/20 0.44
HPGDS O60760 2/20 0.44
CYP3A4 P08684 1/20 0.42
BAZ2B Q9UIF8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL13112151 0.85 CYP11B1 (0.48) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL18573186 0.83 CYP11B1 (0.46) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL18573204 0.83 CYP11B1 (0.46) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL10160338 0.81 POLB (0.48) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL18573398 0.80 CYP11B1 (0.46) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL9000479 0.80 LDHA (0.43) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL6655528 0.79 ALDH1A1 (0.52) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL6655522 0.79 ALDH1A1 (0.52) LDHACYP11B1CYP11B2HPGDSCYP3A4
SCHEMBL5293356 0.77 ALDH1A1 (0.62) LDHAHPGDSBAZ2BKDM4EMITF
SCHEMBL5293348 0.77 ALDH1A1 (0.62) LDHAHPGDSBAZ2BKDM4EMITF

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 5 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 LDHA 42/4885CYP11B1 2812/4885CYP11B2 3504/4885

“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.