SCHEMBL4865405

SCHEMBL4865405

NCCCCc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
DHODH Q02127 1/20 0.46
CYP1A2 P05177 2/20 0.44
HRH1 P35367 3/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PDE10A Q9Y233 2/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL30195937 1.00 MAOA (0.48) MAOADHODHCYP1A2HRH1PDGFRB
SCHEMBL3527310 0.98 MAOA (0.47) MAOADHODHCYP1A2HRH1PDGFRB
SCHEMBL5507000 0.95 DHODH (0.47) MAOADHODHCYP1A2PDGFRBPDGFRA
SCHEMBL11597016 0.90 CYP1A2 (0.50) MAOACYP1A2PDGFRBPDGFRAPDE10A
SCHEMBL3638034 0.88 DHODH (0.49) MAOADHODHCYP1A2PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL3640635 0.86 DHODH (0.48) MAOADHODHCYP1A2PDGFRBPDGFRA
SCHEMBL9118575 0.85 CYP1A2 (0.46) MAOACYP1A2PDGFRBPDGFRAPDE10A
SCHEMBL3396692 0.84 CYP1A2 (0.55) MAOADHODHCYP1A2PDGFRBPDGFRA
SCHEMBL8668667 0.83 CYP1A2 (0.44) MAOACYP1A2PDGFRBPDGFRAPDE10A
SCHEMBL859430 0.83 TRPV1 (0.56) CYP1A2PDE10ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD MAOA 2612/4885DHODH 591/4885CYP1A2 383/4885

“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.