SCHEMBL21807638

SCHEMBL21807638

S=C(Nc1ccc(Cl)cc1)Nc1cccc2nsnc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.72
▸ KDM4E B2RXH2 7/20 0.72
▸ MEN1 O00255 6/20 0.72
▸ KMT2A Q03164 6/20 0.72
▸ RAB9A P51151 4/20 0.72
▸ NPC1 O15118 3/20 0.72
▸ NPSR1 Q6W5P4 3/20 0.72
▸ QPCT Q16769 1/20 0.61
▸ ALDH1A1 P00352 7/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTT P42858 4/20 0.52
▸ PPARG P37231 2/20 0.52
▸ NCOA2 Q15596 2/20 0.52
▸ NCOA1 Q15788 2/20 0.52
▸ NCOA3 Q9Y6Q9 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HPGD P15428 4/20 0.50
▸ LMNA P02545 2/20 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
SCHEMBL3634939 0.76 QPCT (0.84) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL15880356 0.75 KDM4E (0.57) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL8956455 0.72 MAPT (0.75) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL5445907 0.72 MAPT (0.75) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL4343802 0.71 MAPK1 (0.56) MAPTKDM4EKMT2ARAB9ANPC1
SCHEMBL11072641 0.70 KMT2A (0.73) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL4861625 0.69 ALDH1A1 (0.64) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL4341741 0.69 KMT2A (0.54) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL8956349 0.69 NOX1 (0.85) MAPTKDM4EMEN1KMT2ARAB9A
SCHEMBL5081276 0.69 NOX1 (0.85) MAPTKDM4EMEN1KMT2ARAB9A

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-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 (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-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 MAPT 2375/4885KDM4E 4737/4885MEN1 1706/4885

“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.

Send feedback