SCHEMBL10069775

SCHEMBL10069775

Clc1cc(Cl)c(Cl)c(CNCCCNc2ccc3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
SLC2A1 P11166 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CHRM2 P08172 1/20 0.37
HTR1A P08908 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
SCHEMBL6774198 0.79 MARS1 (0.49) DRD2ADRA1ADRD3KCNH2HRH4
SCHEMBL5943486 0.76 NCF1 (0.59) DRD2ADRA1ADRD3KCNH2HRH4
SCHEMBL5943504 0.76 NPC1 (0.51) DRD2ADRA1ADRD3KCNH2HRH4
SCHEMBL5943554 0.75 MC5R (0.57) NPC1RAB9AKDM4ETP53HPGD
SCHEMBL117565 0.73 CA12 (0.39) KDM4EHSD17B10
SCHEMBL5943607 0.72 NCF1 (0.45) DRD2ADRA1ADRD3KCNH2HRH4
SCHEMBL5943511 0.72 CA1 (0.42) DRD2ADRA1ADRD3KCNH2HRH4
SCHEMBL5943493 0.72 MC1R (0.56) SLC2A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL5943501 0.72 NPC1 (0.48) HRH4NPC1RAB9AKDM4ETP53
SCHEMBL5943461 0.71 NPC1 (0.43) DRD2ADRA1ADRD3KCNH2HRH4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 DRD2 4591/4885ADRA1A 3041/4885DRD3 4266/4885

“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.