SCHEMBL6803449

SCHEMBL6803449

CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
MC4R P32245 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL6803444 1.00 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL6807744 0.90 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL6807740 0.90 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL6827938 0.90 ITGA4 (0.46) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL6827943 0.90 ITGA4 (0.46) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL6808095 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL6808091 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL6796461 0.80 PTPRB (0.53)
SCHEMBL6796473 0.80 PTPRB (0.53)
SCHEMBL6799985 0.80 ITGA4 (0.51) MEN1KMT2ASMN1; SMN2NPC1TP53

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE MEN1 4379/4885KMT2A 2262/4885SMN1; SMN2 1642/4885

“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.