SCHEMBL117565

SCHEMBL117565

Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)cc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL10069775 0.73 DRD2 (0.44) KDM4EHSD17B10
SCHEMBL10069776 0.70 MARS1 (0.40) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL7815056 0.70 MARS1 (0.66)
SCHEMBL4960110 0.64 NQO2 (0.61) KDM4ETSHRHSD17B10
SCHEMBL11591991 0.62 CA12 (0.53) CA12CA2CA9TSHRHSD17B10
SCHEMBL27650320 0.60 BCHE (0.43)
SCHEMBL26087028 0.60 CA12 (0.70) CA12CA2CA9KDM4ETSHR
SCHEMBL11113617 0.60 ALDH1A1 (0.68) KDM4E
SCHEMBL28805665 0.60 NQO2 (0.55) KDM4ETSHRHSD17B10
SCHEMBL11241212 0.59 CA12 (1.00) CA12CA2CA9KDM4ETSHR

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 2 patents. 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
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 CA12 4845/4885CA2 4666/4885CA9 4761/4885

“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.