SCHEMBL22650870

SCHEMBL22650870

O=C(Nc1ccc(C(=O)N2CCNC2=O)cc1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.51
GFER P55789 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
GPR6 P46095 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
SCHEMBL22633593 0.81 RAB9A (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL458598 0.80 GAA (0.54) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8770282 0.74 MEN1 (0.85) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL22633479 0.74 MAPT (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8561545 0.73 MEN1 (0.74) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL11729204 0.73 MEN1 (0.80) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL7345883 0.73 MEN1 (0.63) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL2047778 0.72 RAB9A (1.00) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL15154820 0.71 RAB9A (0.61) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL8770663 0.71 NPC1 (0.64) MEN1KMT2ARAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF CYTUS H&B CO LTD (KR) 2020-11-12 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 (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-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF STAT3, JAK2, STAT6 MEN1 2656/4885KMT2A 608/4885RAB9A 2617/4885

“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.