SCHEMBL21883516

SCHEMBL21883516

NCCN(CCNC(=S)Nc1ccn(C(=S)Nc2ccc(Cl)cc2)n1)CCNC(=S)Nc1ccn(C(=S)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 8/20 0.46
POLB P06746 1/20 0.46
QPCT Q16769 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.39
MAPT P10636 7/20 0.38
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX12 P18054 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ACHE P22303 1/20 0.35
PKM P14618 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL24221942 0.95 MEN1 (0.48) MEN1KMT2ALMNAPOLBQPCT
SCHEMBL21883514 0.87 MEN1 (0.39) MEN1KMT2ALMNAPOLBQPCT
SCHEMBL24221920 0.75 NPC1 (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL21883244 0.72 SMN1; SMN2 (0.39) MEN1KMT2ALMNAPOLBQPCT
SCHEMBL21883139 0.69 SMN1; SMN2 (0.47) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL21883512 0.66 PLAU (0.48) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL21883129 0.66 MEN1 (0.46) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL21883124 0.66 IDO1 (0.51) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8956298 0.65 LMNA (0.74) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL21883285 0.63 SMN1; SMN2 (0.44) MEN1KMT2ALMNAPOLBSMN1; 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 2 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

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 MEN1 1706/4885KMT2A 2961/4885LMNA 4664/4885

“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.