SCHEMBL1624586

SCHEMBL1624586

CN(C)CCNC(=O)C1CCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TP53 P04637 5/20 0.45
LMNA P02545 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13033844 0.92 TP53 (0.46) MAPTTP53LMNARXFP1KDM4E
SCHEMBL1623728 0.90 TP53 (0.42) MAPTTP53LMNARXFP1KDM4E
SCHEMBL1625310 0.90 TP53 (0.42) MAPTTP53LMNARXFP1KDM4E
SCHEMBL1624860 0.90 POLB (0.42) TP53LMNAPOLB
SCHEMBL1625275 0.87 ALDH1A1 (0.45) MAPTTP53LMNARXFP1
SCHEMBL1687498 0.86 LMNA (0.44) MAPTTP53LMNARXFP1KDM4E
SCHEMBL13033830 0.85 VCP (0.54) TP53RXFP1KDM4ENPC1POLB
SCHEMBL1625431 0.85 LMNA (0.43) MAPTTP53LMNARXFP1KDM4E
SCHEMBL1625569 0.84 TP53 (0.46) MAPTTP53LMNAKDM4EPOLB
SCHEMBL1625423 0.84 NOTUM (0.46) MAPTTP53KDM4ENPC1POLB

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 3104/4885TP53 537/4885LMNA 4481/4885

“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.