SCHEMBL11920145

SCHEMBL11920145

O=C(OCc1ccccc1)N1CCC(c2nnc(S)n2-c2ccccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
GRIN2B Q13224 9/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
HTT P42858 1/20 0.45
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 3/20 0.42
TRPC3 Q13507 1/20 0.42
TRPC7 Q9HCX4 1/20 0.42
ENPP2 Q13822 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
SCHEMBL29195029 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL248158 0.73 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19405090 0.72 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4035554 0.72 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL15017310 0.72 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL29195027 0.72 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31169287 0.72 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4462505 0.72 GRIN2B (0.66) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7411253 0.71 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL16545218 0.71 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 SMN1; SMN2 4708/4885NPC1 3367/4885RAB9A 3968/4885

“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.