SCHEMBL1623591

SCHEMBL1623591

CN(C)CCNC(=O)[C@@H]1CCCN(c2ccc(F)c(-c3nc4cc(F)ccc4[nH]3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.41
GPBAR1 Q8TDU6 3/20 0.41
NAMPT P43490 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ACKR3 P25106 1/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
DEGS1 O15121 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1625061 1.00 HSD17B10 (0.44) HSD17B10POLBGPBAR1NAMPTKDM4E
SCHEMBL1625240 0.88 HSD17B10 (0.43) HSD17B10GPBAR1KDM4EDGAT2MEN1
SCHEMBL1625052 0.88 HSD17B10 (0.43) HSD17B10GPBAR1KDM4EDGAT2MEN1
SCHEMBL1625627 0.85 GPBAR1 (0.42) HSD17B10POLBGPBAR1KDM4EMEN1
SCHEMBL1624860 0.83 POLB (0.42) POLBNMT2NMT1MEN1KMT2A
SCHEMBL1625569 0.83 TP53 (0.46) HSD17B10POLBKDM4ETP53
SCHEMBL1625310 0.83 TP53 (0.42) POLBGPBAR1KDM4EMEN1KMT2A
SCHEMBL1623728 0.83 TP53 (0.42) POLBGPBAR1KDM4EMEN1KMT2A
SCHEMBL1625651 0.81 HSD17B10 (0.41) HSD17B10GPBAR1NAMPTDGAT2CYP2D6
SCHEMBL1625656 0.81 HSD17B10 (0.41) HSD17B10GPBAR1NAMPTDGAT2CYP2D6

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 HSD17B10 3156/4885POLB 3273/4885GPBAR1 73/4885

“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.