SCHEMBL9519915

SCHEMBL9519915

CC(C)C/C=C/c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.71
CHRNA4 P43681 2/20 0.71
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA7 P36544 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
ALOX5 P09917 2/20 0.50
TBXAS1 P24557 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
JUN P05412 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7514662 1.00 CHRNB2 (0.71) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL7514670 1.00 CHRNB2 (0.71) CHRNB2CHRNA4MEN1KMT2ACHRNB4
Bicarbonate SCHEMBL9520380 0.92 CHRNB2 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3128193 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3017778 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL621129 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3020951 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL617909 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL10398580 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL617910 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063021-B2 Ketolide anti-infective compounds KOSAN BIOSCIENCES INCORPORATED (US) 2011-11-22 US disclosed
US-8063021-B2 Ketolide anti-infective compounds KOSAN BIOSCIENCES INCORPORATED (US) 2011-11-22 US disclosed
US-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 US disclosed
US-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 US disclosed
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 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 (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-20090209547-A1 C-8 HALOGENATED MACROLIDES CYP2C8, CCR8, CXCL8 CHRNB2 4739/4885CHRNA4 4732/4885MEN1 3130/4885

“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.