SCHEMBL13128952

SCHEMBL13128952

O=[N+]([O-])Oc1ccc(N/N=C/c2cccc(OCCN3CCOCC3)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ HTT P42858 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PSMD14 O00487 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GAA P10253 3/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ NFE2L2 Q16236 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2740984 0.91 KMT2A (0.56) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL2740983 0.77 MEN1 (0.59) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL2740950 0.74 MEN1 (0.61) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL2741005 0.72 MEN1 (0.52) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL13165623 0.68 SMN1; SMN2 (0.43) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL2740991 0.67 MAPT (0.56) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL2741014 0.66 MEN1 (0.54) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL2741006 0.65 MEN1 (0.55) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL29417693 0.65 KDM4E (0.62) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL210600 0.65 KDM4E (0.62) HTTSMN1; SMN2NPC1RAB9AALDH1A1

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-20100249135-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT THE GENETICS COMPANY, INC. (CH) 2010-09-30 — — 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-20100249135-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT BCOR, CBR3, SULT1E1 KMT2A 217/4885HTT 2367/4885MEN1 1381/4885

“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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