SCHEMBL5799657

SCHEMBL5799657

Cc1nc2cc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)ccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
HTT P42858 3/20 0.66
RAB9A P51151 10/20 0.61
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TRPV1 Q8NER1 1/20 0.60
NPC1 O15118 6/20 0.59
LMNA P02545 3/20 0.59
MAPK1 P28482 1/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.53
MCL1 Q07820 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL14566887 0.82 TRPV1 (0.67) MAPTHTTRAB9APOLBTDP1
SCHEMBL1249138 0.79 KMT2A (0.63) MAPTHTTRAB9APOLBTDP1
SCHEMBL5781167 0.79 TRPV1 (0.72) MAPTHTTRAB9APOLBTDP1
SCHEMBL14985573 0.78 TRPV1 (0.79) MAPTHTTRAB9APOLBTDP1
SCHEMBL5316241 0.77 MAPT (1.00) MAPTHTTRAB9APOLBMEN1
SCHEMBL5803314 0.77 TRPV1 (0.69) MAPTHTTRAB9APOLBTDP1
SCHEMBL17478908 0.76 MAPT (0.49) MAPTHTTRAB9APOLBTDP1
SCHEMBL5783405 0.76 TRPV1 (0.76) MAPTHTTRAB9APOLBTDP1
SCHEMBL5781407 0.76 TRPV1 (0.76) MAPTHTTRAB9APOLBTDP1
SCHEMBL30369793 0.76 RAB9A (0.81) MAPTHTTRAB9APOLBTDP1

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
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US claimed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO claimed
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 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 (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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) AVPR1A, AVPR2, TRPV1 MAPT 4661/4885HTT 3597/4885RAB9A 1626/4885

“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.