SCHEMBL1623728

SCHEMBL1623728

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1625310 1.00 TP53 (0.42) TP53RXFP1NPC1RAB9AMEN1
SCHEMBL13033844 0.92 TP53 (0.46) TP53RXFP1NPC1RAB9AMEN1
SCHEMBL1625627 0.91 GPBAR1 (0.42) TP53MEN1KMT2ALMNAMAPT
SCHEMBL1624586 0.90 MAPT (0.46) TP53RXFP1NPC1RAB9ALMNA
SCHEMBL1623594 0.88 CYP1A2 (0.43) TP53RXFP1NPC1RAB9AMEN1
SCHEMBL1622821 0.88 TP53 (0.42) TP53RXFP1NPC1RAB9AKMT2A
SCHEMBL1625064 0.87 TP53 (0.41) TP53RXFP1NPC1RAB9AMEN1
SCHEMBL1624657 0.87 TP53 (0.41) TP53RXFP1NPC1RAB9AKMT2A
SCHEMBL1625008 0.87 TP53 (0.41) TP53RXFP1NPC1RAB9AKMT2A
SCHEMBL1625632 0.85 SMN1; SMN2 (0.47) TP53NPC1RAB9AMEN1KMT2A

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 691/4885NPC1 380/4885

“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.