SCHEMBL1625514

SCHEMBL1625514

COc1ccc2[nH]c(-c3cc(N4CCC(C(=O)N5CCN(C)CC5)CC4)ccc3F)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KCNH2 Q12809 2/20 0.49
TP53 P04637 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTNR1B P49286 2/20 0.44
LMNA P02545 2/20 0.43
BRD4 O60885 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR9 Q9NR96 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
TLR7 Q9NYK1 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
SCHEMBL1625163 0.93 MAPT (0.50) MAPTKCNH2TP53MTNR1BLMNA
SCHEMBL1624790 0.92 MAPT (0.49) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL1625245 0.92 MAPT (0.49) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL1625272 0.91 MAPT (0.50) MAPTKCNH2TP53KDM4EALDH1A1
SCHEMBL1625515 0.90 KCNH2 (0.52) MAPTKCNH2TP53KDM4EALDH1A1
SCHEMBL1283898 0.89 KCNH2 (0.51) MAPTKCNH2TP53KDM4EALDH1A1
SCHEMBL1625215 0.89 LMNA (0.51) MAPTKCNH2TP53KDM4EALDH1A1
SCHEMBL1623193 0.88 FFAR4 (0.48) MAPTKCNH2KDM4EALDH1A1NPC1
SCHEMBL1284103 0.86 CCNC (0.48) MAPTKCNH2TP53KDM4EALDH1A1
SCHEMBL1625121 0.84 PRKAG1 (0.49) MAPTTP53ALDH1A1MTNR1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO MAPT 3104/4885KCNH2 4706/4885TP53 537/4885

“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.