SCHEMBL1623746

SCHEMBL1623746

CN1CCCC1CCNC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nc4cc(F)ccc4[nH]3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.41
ACKR3 P25106 1/20 0.41
CHRM3 P20309 6/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
NAMPT P43490 1/20 0.38
LCK P06239 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1625949 0.93 ACKR3 (0.41) NOTUMACKR3CHRM3LCKPDE3B
SCHEMBL1625064 0.91 TP53 (0.41) NOTUMCHRM3TSHRBCL9CTNNB1
SCHEMBL1625651 0.88 HSD17B10 (0.41) HSD17B10NOTUMGPBAR1NAMPTSMN1; SMN2
SCHEMBL1625656 0.88 HSD17B10 (0.41) HSD17B10NOTUMGPBAR1NAMPTSMN1; SMN2
SCHEMBL1625655 0.86 SMN1; SMN2 (0.46) HSD17B10GPBAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL1284004 0.86 SMN1; SMN2 (0.46) HSD17B10GPBAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL1625628 0.84 SMN1; SMN2 (0.47) HSD17B10GPBAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL1624548 0.82 NOTUM (0.47) HSD17B10NOTUM
SCHEMBL15163517 0.82 NOTUM (0.47) HSD17B10NOTUM
Hydrochloric Acid SCHEMBL1283752 0.81 NOTUM (0.46) HSD17B10NOTUM

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 3156/4885NOTUM 4463/4885ACKR3 568/4885

“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.