SCHEMBL5842469

SCHEMBL5842469

NCC(=O)Oc1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
HTR1D P28221 4/20 0.43
PNMT P11086 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL30140858 0.85 PTK2B (0.45) HTTKMT2ATP53TDP1MEN1
SCHEMBL635048 0.85 PTK2B (0.45) HTTKMT2ATP53TDP1MEN1
Hydrochloric Acid SCHEMBL27850668 0.84 PTK2B (0.44) HTTKMT2ATP53TDP1MEN1
SCHEMBL28122214 0.84 PTK2B (0.44) HTTKMT2ATP53TDP1MEN1
SCHEMBL27985462 0.84 PTK2B (0.44) HTTKMT2ATP53TDP1MEN1
SCHEMBL1261928 0.82 HTR1D (0.46) MRGPRX4HTR1DCARM1PRMT6HTT
SCHEMBL11099024 0.82 MRGPRX4 (0.43) MRGPRX4HTR1DCARM1PRMT6HTT
SCHEMBL9283420 0.79 KMT2A (0.45) MRGPRX4HTR1DPNMTCARM1PRMT6
SCHEMBL4573844 0.79 KMT2A (0.45) MRGPRX4HTR1DCARM1PRMT6HTT
SCHEMBL180174 0.79 TSHR (0.47) MRGPRX4HTR1DHTTNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE MRGPRX4 1424/4885HTR1D 4085/4885PNMT 3553/4885

“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.