SCHEMBL21883504

SCHEMBL21883504

Nc1ccn(C(=S)Nc2ccc(NC(=S)n3ccc(N)n3)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 4/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL24221864 0.68 SMN1; SMN2 (0.42) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2909021 0.68 F2 (0.55) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24221920 0.67 NPC1 (0.46) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18604415 0.62 ALDH1A1 (0.46) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8889350 0.59 IDO1 (0.46) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14574197 0.59 SMN1; SMN2 (0.69) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL725810 0.58 ALDH1A1 (0.75) RAB9AKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL14574196 0.56 LMNA (0.71) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL728343 0.56 ALDH1A1 (0.62) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14872162 0.55 TAS2R38 (0.60) RAB9AMEN1KMT2AMAPTSMN1; 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 RAB9A 1707/4885MEN1 1706/4885KMT2A 2961/4885

“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.