SCHEMBL4798549

SCHEMBL4798549

NC(=O)c1cccc(NCC(NC(=O)[CH]CC2CCCCC2)C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 1/20 0.39
CDK2 P24941 1/20 0.38
NEK2 P51955 1/20 0.38
F2RL1 P55085 1/20 0.38
PARP14 Q460N5 7/20 0.38
PARP1 P09874 7/20 0.38
PARP10 Q53GL7 6/20 0.38
PARP15 Q460N3 4/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNKS O95271 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRD1 P41143 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4800027 0.89 BRD4 (0.38) F3NPC1TDP1MEN1KMT2A
SCHEMBL4797749 0.88 NPC1 (0.41) F2RL1NPC1MEN1KMT2AMAPT
SCHEMBL4801315 0.88 EPHX2 (0.47) NPC1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL4800887 0.86 NPC1 (0.39) F2RL1NPC1TDP1MEN1KMT2A
SCHEMBL4796292 0.85 TSHR (0.50) NPC1KMT2AALDH1A1SMN1; SMN2OPRK1
SCHEMBL4800960 0.84 CTSL (0.47) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4796161 0.83 CTSL (0.43)
SCHEMBL4797850 0.82 MME (0.36) MEN1KMT2A
SCHEMBL4798052 0.81 CTSS (0.38) NPC1SMN1; SMN2MGLL
SCHEMBL4799139 0.81 EPHX1 (0.36) PARP10MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 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 (2 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ F3 1428/4885CDK2 793/4885NEK2 3510/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ F3 1428/4885CDK2 793/4885NEK2 3510/4885

“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.