SCHEMBL10069776

SCHEMBL10069776

O=c1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TNKS O95271 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 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
SCHEMBL117565 0.70 CA12 (0.39) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL7818409 0.67 MARS1 (0.52) MARS1
SCHEMBL10069775 0.67 DRD2 (0.44) KDM4EHPGDHSD17B10
SCHEMBL28290293 0.65 HPGD (0.50) KDM4ELMNAHPGDHSD17B10TNKS
SCHEMBL7807519 0.64 MARS1 (0.61) MARS1
SCHEMBL11388353 0.61 KDM4E (0.63) KDM4ELMNAHPGDHSD17B10
SCHEMBL5669207 0.61 MARS1 (0.76) MARS1
SCHEMBL7302990 0.60 SIGMAR1 (0.68) KDM4EHSD17B10
SCHEMBL23657482 0.60 ALDH1A1 (0.55) KDM4ELMNAHPGDHSD17B10TNKS
SCHEMBL28291744 0.60 TNKS (0.53) KDM4ELMNAHPGDHSD17B10TNKS

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 MARS1 55/4885KDM4E 1144/4885LMNA 4460/4885

“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.