SCHEMBL6469977

SCHEMBL6469977

O=C(Nc1cccc(F)c1)c1cccc(I)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
HPGD P15428 2/20 0.71
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
KCNK3 O14649 3/20 0.68
KCNK9 Q9NPC2 2/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAOB P27338 1/20 0.57
NFKB1 P19838 1/20 0.55
HTT P42858 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAPT P10636 1/20 0.54

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
SCHEMBL3673898 0.89 KCNK3 (0.61) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL18410447 0.83 HDAC1 (0.67) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL23447715 0.83 NPC1 (1.00) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL30799158 0.83 KMT2A (0.70) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL19156982 0.81 KCNK3 (0.91) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL29817846 0.81 NPC1 (0.71) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL4258383 0.81 NPC1 (0.71) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL16431098 0.81 PTGS1 (0.63) KMT2AMEN1KCNK3KCNK9SMN1; SMN2
SCHEMBL1353546 0.81 NPC1 (0.71) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL7241176 0.81 NPC1 (0.71) NPC1RAB9AHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501513-B1 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS VERSI GROUP LLC (US) 2014-04-16 EP disclosed
US-8476280-B2 Modulate contraction, relaxation of muscles VERSI GROUP, LLC (US) 2013-07-02 US disclosed
EP-1501513-A2 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS Ardent Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040002503-A1 Compositions and methods for combating lower urinary tract dysfunctions with delta opioid receptor agonists VERSI GROUP, LLC 2004-01-01 US disclosed
WO-2003094853-A2 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS ARDENT PHARMACEUTICALS, INC. (US) 2003-11-20 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-20040002503-A1 Compositions and methods for combating lower urinary tract dysfunctions with delta opioid receptor agonists OPRD1, OPRK1, OPRM1 NPC1 3861/4885RAB9A 3408/4885HPGD 934/4885

“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.