SCHEMBL1624987

SCHEMBL1624987

CN(C)CCCN(C)C(=O)C1CCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.41
FASN P49327 1/20 0.40
MAPT P10636 2/20 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
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
BRD4 O60885 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 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
SCHEMBL1625431 0.96 LMNA (0.43) TP53RXFP1LMNAFASNMAPT
SCHEMBL1625008 0.95 TP53 (0.41) NOTUMTP53RXFP1LMNAFASN
SCHEMBL1624657 0.95 TP53 (0.41) NOTUMTP53RXFP1LMNAFASN
SCHEMBL1625164 0.91 NOTUM (0.41) NOTUMLMNAMAPTBRD4CCNC
SCHEMBL1687498 0.91 LMNA (0.44) TP53RXFP1LMNAMAPTKDM4E
SCHEMBL1622821 0.90 TP53 (0.42) NOTUMTP53RXFP1LMNAMAPT
SCHEMBL13033841 0.89 TP53 (0.45) TP53RXFP1LMNAMAPTKDM4E
SCHEMBL1624661 0.87 DGAT2 (0.39) NOTUMLMNAMAPTBRD4CCNC
SCHEMBL1625520 0.87 DGAT2 (0.39) NOTUMLMNAMAPTBRD4CCNC
SCHEMBL1625278 0.86 F10 (0.40) NOTUMLMNAMAPTBRD4

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 4463/4885TP53 537/4885RXFP1 691/4885

“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.