SCHEMBL1625512

SCHEMBL1625512

CN1CCC(N(C)C(=O)[C@H]2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
FGFR1 P11362 2/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
NOTUM Q6P988 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 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
DGAT2 Q96PD7 1/20 0.38
MCHR1 Q99705 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
FLT1 P17948 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
SCHEMBL1625552 0.95 NOTUM (0.44) BRD4HRH3FGFR1PDGFRBKDR
SCHEMBL1625588 0.92 NOTUM (0.40) BRD4HRH3NOTUMTP53DGAT2
SCHEMBL1623498 0.92 MCHR1 (0.39) BRD4HRH3NOTUMDGAT2MCHR1
SCHEMBL1625479 0.87 NOTUM (0.43) BRD4HRH3FGFR1PDGFRBKDR
SCHEMBL1625274 0.85 ATR (0.44) FGFR1PDGFRBKDRNOTUMDGAT2
SCHEMBL1624873 0.85 ATR (0.44) FGFR1PDGFRBKDRNOTUMDGAT2
SCHEMBL1284155 0.84 ATR (0.46) FGFR1PDGFRBKDRNOTUMTP53
SCHEMBL1283946 0.84 ATR (0.46) FGFR1PDGFRBKDRNOTUMTP53
SCHEMBL1283949 0.84 ATR (0.46) FGFR1PDGFRBKDRNOTUMTP53
SCHEMBL1622821 0.84 TP53 (0.42) BRD4NOTUMTP53RXFP1KDM4E

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 BRD4 458/4885HRH3 801/4885FGFR1 222/4885

“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.