SCHEMBL1623592

SCHEMBL1623592

O=C(C1CCN(c2ccc(F)c(-c3nc4cc(Cl)ccc4[nH]3)c2)CC1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
DGAT2 Q96PD7 5/20 0.47
MAPT P10636 2/20 0.47
NOTUM Q6P988 1/20 0.43
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.41
IDE P14735 1/20 0.41
F10 P00742 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL1625215 0.92 LMNA (0.51) LMNAMAPTTP53KCNH2ALDH1A1
SCHEMBL1625200 0.91 DGAT2 (0.47) LMNADGAT2MAPTNOTUMTP53
SCHEMBL1284530 0.90 MAPT (0.50) LMNADGAT2MAPTTP53KCNH2
SCHEMBL1284144 0.89 MAPT (0.49) LMNADGAT2MAPTTP53KCNH2
SCHEMBL1284132 0.89 MAPT (0.49) LMNADGAT2MAPTTP53KCNH2
SCHEMBL1625503 0.89 LMNA (0.58) LMNADGAT2MAPTTP53KCNH2
SCHEMBL1623232 0.88 PDE3B (0.48) LMNANOTUMKCNH2
Hydrochloric Acid SCHEMBL1283814 0.87 PDE3B (0.47) LMNANOTUMKCNH2
SCHEMBL1625163 0.87 MAPT (0.50) LMNADGAT2MAPTTP53KCNH2
SCHEMBL1625245 0.87 MAPT (0.49) LMNADGAT2MAPTTP53KMT2A

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 LMNA 4481/4885DGAT2 719/4885MAPT 3104/4885

“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.