SCHEMBL6428212

SCHEMBL6428212

COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ NPC1 O15118 6/20 0.73
▸ RAB9A P51151 6/20 0.73
▸ CASP3 P42574 2/20 0.73
▸ SENP8 Q96LD8 2/20 0.73
▸ SENP7 Q9BQF6 2/20 0.73
▸ SENP6 Q9GZR1 2/20 0.73
▸ POLB P06746 1/20 0.63
▸ MITF O75030 1/20 0.60
▸ TNF P01375 1/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ NOD2 Q9HC29 1/20 0.60
▸ NOD1 Q9Y239 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ DYRK1A Q13627 1/20 0.58
▸ DUSP3 P51452 2/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.56

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
SCHEMBL4918045 0.79 RAB9A (1.00) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL2115414 0.78 MEN1 (0.68) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL16562118 0.78 RAB9A (1.00) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL22822539 0.76 LMNA (0.70) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3045307 0.76 DUSP3 (0.82) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL20660046 0.75 DYRK1A (0.80) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL15376502 0.75 DYRK1A (1.00) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3047328 0.75 DYRK1A (0.80) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3054015 0.74 DUSP3 (0.76) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL2117303 0.74 MEN1 (0.71) KMT2AMEN1NPC1RAB9ACASP3

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-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 — — US claimed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 — — US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 — — 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 (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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 KMT2A 2545/4885MEN1 4703/4885NPC1 1957/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 KMT2A 2476/4885MEN1 4749/4885NPC1 1752/4885

“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.

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