SCHEMBL16617008

SCHEMBL16617008

N=[N+]=NC(C(=O)C1CCCCC1C(=O)[O-])c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
EPHX1 P07099 1/20 0.32
CTDSP1 Q9GZU7 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16617480 0.84
SCHEMBL16617007 0.76 GRK2 (0.37) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL16617795 0.73 POLB (0.40) POLBSMN1; SMN2
SCHEMBL16617798 0.73 POLB (0.40) POLBSMN1; SMN2
SCHEMBL16638017 0.71 MEN1 (0.38) POLBKMT2AMEN1ALDH1A1
SCHEMBL16617954 0.69 GRK2 (0.38) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL16617113 0.68 POLB (0.40) POLBSMN1; SMN2
SCHEMBL16617114 0.68 POLB (0.40) POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL16618172 0.65 GRK2 (0.41) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL16624853 0.65 POLB (0.44) POLBSMN1; SMN2

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
EP-3055314-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 EP disclosed
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 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-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ POLB 3196/4885NPC1 287/4885RAB9A 477/4885

“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.