SCHEMBL1625552

SCHEMBL1625552

CN1CCC(N(C)C(=O)C2CCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
FGFR1 P11362 2/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
BRD4 O60885 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MCHR1 Q99705 1/20 0.39
FLT1 P17948 1/20 0.38

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
SCHEMBL1625512 0.95 BRD4 (0.41) NOTUMFGFR1PDGFRBKDRBRD4
SCHEMBL1625479 0.91 NOTUM (0.43) NOTUMFGFR1PDGFRBKDRBRD4
SCHEMBL1625722 0.87 PDE3B (0.43) NOTUMFGFR1PDGFRBKDRBRD4
SCHEMBL1285001 0.87 PDE3B (0.43) NOTUMBRD4HRH3PDE3BPDE3A
SCHEMBL1625588 0.87 NOTUM (0.40) NOTUMBRD4HRH3TP53PDE3B
SCHEMBL1623498 0.87 MCHR1 (0.39) NOTUMBRD4HRH3PDE3BPDE3A
SCHEMBL1284808 0.84 PDGFRB (0.47) NOTUMFGFR1PDGFRBKDRLMNA
SCHEMBL1284414 0.83 NOTUM (0.57) NOTUMLMNATP53MAPTKDM4E
SCHEMBL1624779 0.83 LMNA (0.53) NOTUMFGFR1PDGFRBKDRBRD4
SCHEMBL1624987 0.82 NOTUM (0.42) NOTUMFGFR1PDGFRBKDRBRD4

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 NOTUM 4463/4885FGFR1 222/4885PDGFRB 71/4885

“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.