SCHEMBL21807656

SCHEMBL21807656

Cn1ccc(NC(=O)Nc2ccc(Cl)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 10/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MAPT P10636 3/20 0.67
MAPK1 P28482 1/20 0.62
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GBA1 P04062 1/20 0.54
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
NLRP1 Q9C000 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13235059 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL21807641 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL24221991 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL21807651 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL21807876 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11887685 0.80 MAPT (1.00) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5056003 0.77 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL29574226 0.77 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL23794881 0.77 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11048619 0.76 MEN1 (0.76) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534440-B2 Compounds with copper- or zinc-activated toxicity against microbial infection KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2026-01-27 US disclosed
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION THE UAB RESEARCH FOUNDATION 2022-01-27 US disclosed
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION THE UAB RESEARCH FOUNDATION 2022-01-27 US disclosed
WO-2020061412-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-26 WO disclosed
WO-2020061412-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-26 WO 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-12534440-B2 Compounds with copper- or zinc-activated toxicity against microbial infection TST, SLC39A11, SLC39A3 NPC1 221/4885RAB9A 1761/4885SMN1; SMN2 2548/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 NPC1 438/4885RAB9A 1707/4885SMN1; SMN2 3367/4885

“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.