SCHEMBL455751

SCHEMBL455751

[CH2]CCCn1cc(Cc2c[nH]c3ccccc23)nn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
AHR P35869 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR6 P50406 1/20 0.41
SSTR4 P31391 2/20 0.40
SSTR1 P30872 1/20 0.40
SSTR3 P32745 1/20 0.40

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
SCHEMBL462205 0.73 GLS (0.48) HRH4HRH3
SCHEMBL12594762 0.73 MEN1 (0.48) GPR84MEN1KMT2AMAPTCYP3A4
SCHEMBL3676456 0.70 SLC6A4 (0.63) GPR84MEN1KMT2AMAPTCYP3A4
SCHEMBL12594764 0.70 ADORA2A (0.44) GPR84MEN1KMT2AMAPTCYP3A4
SCHEMBL735576 0.69 GPR84 (0.65) GPR84MEN1KMT2AMAPTCYP3A4
SCHEMBL31744758 0.69 GPR84 (0.65) GPR84MEN1KMT2AMAPTCYP3A4
SCHEMBL217963 0.69 MEN1 (0.69) GPR84MEN1KMT2AMAPTCYP3A4
SCHEMBL13267883 0.69 MEN1 (0.48) MEN1KMT2AMAPTCYP3A4HTR1A
Arundine SCHEMBL325162 0.69 MEN1 (1.00) GPR84MEN1KMT2AMAPTCYP3A4
SCHEMBL7495793 0.69 SLC6A4 (0.61) GPR84MEN1KMT2AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP claimed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO claimed
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT GPR84 2631/4885MEN1 2458/4885KMT2A 1071/4885

“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.