SCHEMBL303840

SCHEMBL303840

N#Cc1ccc(-c2cccc(C=O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.43
SCN9A Q15858 6/20 0.43
GAA P10253 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 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
SCHEMBL805975 0.91 SCN9A (0.55) SCN9A
SCHEMBL19212699 0.84 XDH (0.49)
SCHEMBL27972544 0.79 MEN1 (0.56) PARP1
SCHEMBL1359228 0.78 MEN1 (0.60) PARP1
SCHEMBL805864 0.77 MAPT (0.64) HSD11B1
SCHEMBL30598255 0.77 TERT (0.49) SCN9A
SCHEMBL30598256 0.77 TERT (0.49) HSD11B1GAA
SCHEMBL1914634 0.77 TERT (0.49) SCN9A
SCHEMBL2321964 0.77 SMN1; SMN2 (0.41) HSD11B1GAA
SCHEMBL3499447 0.77 TERT (0.49) HSD11B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500859-A 2012-01-12 JP claimed
US-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2011-06-23 US claimed
EP-2318100-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS Firmenich S.A. (CH) 2011-05-11 EP claimed
WO-2010020954-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2010-02-25 WO claimed
US-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2011-06-23 US disclosed
EP-2318100-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS Firmenich S.A. (CH) 2011-05-11 EP disclosed
WO-2010020954-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2010-02-25 WO disclosed
US-20070088067-A1 Novel amidine compounds for treating microbial infections GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-04-19 US disclosed
EP-1663959-A1 NOVEL AMIDINE COMPOUNDS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-06-07 EP disclosed
WO-2005033065-A1 NOVEL AMIDINE COMPOUNDS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-04-14 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-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS ADH5, ADH1C, ADH1A HSD11B1 1722/4885SCN9A 3419/4885GAA 1008/4885
US-20070088067-A1 Novel amidine compounds for treating microbial infections ARG1, ARG2, GSDMD HSD11B1 4631/4885SCN9A 4633/4885GAA 655/4885

“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.