SCHEMBL6651709

SCHEMBL6651709

O=CC=Cc1cncc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
RAF1 P04049 1/20 0.46
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
CHEK2 O96017 1/20 0.39
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL6651703 1.00 CYP2A6 (0.50) CYP2A6RAF1TLR4TLR2LMNA
SCHEMBL14634355 0.84 CYP2A6 (0.56) CYP2A6RAF1TLR4TLR2LMNA
SCHEMBL6660136 0.82 TLR4 (0.63) CYP2A6TLR4TLR2LMNATRPA1
SCHEMBL6753903 0.82 CYP2A6 (0.49) CYP2A6RAF1TLR4TLR2LMNA
SCHEMBL6660140 0.82 TLR4 (0.63) CYP2A6TLR4TLR2LMNATRPA1
SCHEMBL5802059 0.80 LMNA (0.52) CYP2A6TLR4TLR2LMNATRPA1
SCHEMBL5802056 0.80 LMNA (0.52) CYP2A6TLR4TLR2LMNATRPA1
SCHEMBL2462770 0.77 CYP2A6 (0.67) CYP2A6LMNAALDH1A1MAPK1NPC1
Hydrochloric Acid SCHEMBL6004892 0.75 CYP2A6 (0.64) CYP2A6LMNAALDH1A1MAPK1NPC1
SCHEMBL10031169 0.73 CYP2A6 (0.62) CYP2A6LMNAALDH1A1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2A6 601/4885RAF1 1404/4885TLR4 3039/4885

“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.