SCHEMBL4861942

SCHEMBL4861942

Cc1cc(-c2c[nH]c(CCCCN)n2)cnc1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
HRH4 Q9H3N8 3/20 0.33
NAMPT P43490 1/20 0.33
HRH1 P35367 7/20 0.33
HRH2 P25021 2/20 0.33

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
SCHEMBL4863454 0.78 HPGDS (0.37) HRH3HRH4HRH1HRH2
SCHEMBL4869563 0.78 PIK3CD (0.37) HRH3HRH4HRH1HRH2
SCHEMBL5676915 0.78 ALDH1A1 (0.41)
SCHEMBL8091110 0.74 MAOB (0.38) HRH3HRH4HRH1HRH2
SCHEMBL4868654 0.73 MAPT (0.36) HRH3HRH4HRH1HRH2
SCHEMBL5673522 0.73 HRH3 (0.36) HRH3HRH4HRH1HRH2
SCHEMBL5676524 0.73 HRH3 (0.44) HRH3HRH4HRH1HRH2
SCHEMBL5674925 0.72 SYK (0.47) HRH3HRH4HRH1
SCHEMBL4861236 0.72 LOXL2 (0.42) NAMPT
SCHEMBL4866713 0.72 CYP19A1 (0.42) HRH3HRH4NAMPTHRH1

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-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US claimed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP claimed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US claimed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO claimed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 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 (2 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD HRH3 4363/4885HRH4 3729/4885NAMPT 690/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI HRH3 4469/4885HRH4 3969/4885NAMPT 818/4885

“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.