SCHEMBL1624924

SCHEMBL1624924

Cc1ccc2[nH]c(-c3cc(N4CCC(C(=O)O)CC4)ccc3Cl)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NOTUM Q6P988 6/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
BRD4 O60885 3/20 0.42
F10 P00742 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PTGES O14684 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 2/20 0.39
DGAT1 O75907 1/20 0.39

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
Hydrochloric Acid SCHEMBL1284381 0.99 PDE3B (0.46) PDE3BPDE3ANOTUMMAPTKDM4E
SCHEMBL1284565 0.94 NOTUM (0.54) PDE3BPDE3ANOTUMMAPT
SCHEMBL1624785 0.89 PDE3B (0.47) PDE3BPDE3ANOTUMMAPTKDM4E
SCHEMBL1625235 0.89 NOTUM (0.47) NOTUMMAPTKDM4EHSD17B10BRD4
SCHEMBL16020754 0.89 NOTUM (0.47) NOTUMMAPTKDM4EHSD17B10BRD4
SCHEMBL1623463 0.89 MAPT (0.51) NOTUMMAPTKDM4EHSD17B10BRD4
Hydrochloric Acid SCHEMBL1283850 0.88 PDE3B (0.46) PDE3BPDE3ANOTUMMAPTKDM4E
SCHEMBL1284034 0.88 PDE3B (0.46) PDE3BPDE3ANOTUMMAPTF10
SCHEMBL1624618 0.88 RAB9A (0.48) MAPTKDM4ETSHRNPSR1
Hydrochloric Acid SCHEMBL1284791 0.88 NOTUM (0.46) NOTUMMAPTKDM4EHSD17B10BRD4

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 5 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
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 WO 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 PDE3B 3289/4885PDE3A 3303/4885NOTUM 4463/4885

“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.