SCHEMBL1624860

SCHEMBL1624860

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PTGES O14684 1/20 0.41
VCP P55072 2/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
NOTUM Q6P988 1/20 0.39
HSD11B1 P28845 1/20 0.39
CHRM4 P08173 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
FLT3 P36888 1/20 0.38
THRB P10828 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
SCHEMBL1624586 0.90 MAPT (0.46) POLBTP53LMNA
SCHEMBL1625569 0.89 TP53 (0.46) POLBPTGESTP53LMNACHRM4
SCHEMBL1623373 0.87 EPHX2 (0.42) PTGESVCPTP53LMNAMEN1
SCHEMBL1283304 0.86 F10 (0.40) POLBPTGESVCPTP53NOTUM
SCHEMBL1625949 0.86 ACKR3 (0.41) PTGESTP53LMNAMEN1KMT2A
SCHEMBL1625423 0.85 NOTUM (0.46) POLBPTGESTP53KMT2ANOTUM
SCHEMBL1625061 0.83 HSD17B10 (0.44) POLBTP53MEN1KMT2ANMT2
SCHEMBL1623591 0.83 HSD17B10 (0.44) POLBTP53MEN1KMT2ANMT2
SCHEMBL1284034 0.83 PDE3B (0.46) PTGESTP53NOTUMHSD11B1PDE3B
SCHEMBL1625946 0.82 LMNA (0.42) PTGESTP53LMNAMEN1KMT2A

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 POLB 3273/4885PTGES 2679/4885VCP 2246/4885

“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.