SCHEMBL1625008

SCHEMBL1625008

CN(C)CCCN(C)C(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FASN P49327 1/20 0.39
DGAT2 Q96PD7 3/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
NOTUM Q6P988 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1624657 1.00 TP53 (0.41) TP53RXFP1FASNDGAT2KMT2A
SCHEMBL1624987 0.95 NOTUM (0.42) TP53RXFP1FASNKDM4ENPC1
SCHEMBL1622821 0.95 TP53 (0.42) TP53RXFP1DGAT2KMT2AKDM4E
SCHEMBL1625520 0.92 DGAT2 (0.39) DGAT2NOTUMBRD4LMNAMAPT
SCHEMBL1624661 0.92 DGAT2 (0.39) DGAT2NOTUMBRD4LMNAMAPT
SCHEMBL1625431 0.91 LMNA (0.43) TP53RXFP1FASNKDM4ENPC1
SCHEMBL1625605 0.91 DGAT2 (0.39) TP53DGAT2NOTUMMAPT
SCHEMBL13033841 0.88 TP53 (0.45) TP53RXFP1KMT2AKDM4ENPC1
SCHEMBL1623728 0.87 TP53 (0.42) TP53RXFP1KMT2AKDM4ENPC1
SCHEMBL1625310 0.87 TP53 (0.42) TP53RXFP1KMT2AKDM4ENPC1

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 TP53 537/4885RXFP1 691/4885FASN 3168/4885

“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.