SCHEMBL1625946

SCHEMBL1625946

CN(C)C1CCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nc5cc(F)ccc5[nH]4)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MAPT P10636 4/20 0.40
ATR Q13535 2/20 0.39
NOTUM Q6P988 3/20 0.39
TP53 P04637 1/20 0.38
PTGES O14684 1/20 0.38
PRCP P42785 2/20 0.37
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CCNB1 P14635 2/20 0.37
CCND1 P24385 2/20 0.37
CCND3 P30281 2/20 0.37
CDK6 Q00534 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SSTR2 P30874 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1284950 0.95 ATR (0.41) LMNAMAPTATRNOTUMPTGES
SCHEMBL1624967 0.89 KCNH2 (0.46) LMNAMAPTTP53KCNH2KDM4E
SCHEMBL1625294 0.89 MAPT (0.46) LMNAMAPTATRTP53ALDH1A1
SCHEMBL1284134 0.87 NOTUM (0.49) LMNAMAPTNOTUMTP53KDM4E
SCHEMBL1624994 0.87 FGFR1 (0.47) LMNAMAPTNOTUMTP53MEN1
SCHEMBL1284241 0.87 DGAT2 (0.42) ATRNOTUM
SCHEMBL1284238 0.87 DGAT2 (0.42) ATRNOTUM
SCHEMBL1624870 0.86 MAPT (0.45) LMNAMAPTATRNOTUMTP53
SCHEMBL1625478 0.86 NOTUM (0.44) LMNAMAPTATRNOTUM
SCHEMBL1284034 0.84 PDE3B (0.46) MAPTNOTUMTP53PTGESPDE3B

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 4481/4885MAPT 3104/4885ATR 3196/4885

“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.