SCHEMBL14537875

SCHEMBL14537875

Cc1c(O)cccc1NS(=O)(=O)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 1/20 0.57
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ CYTH2 Q99418 1/20 0.46
▸ CYP19A1 P11511 4/20 0.45
▸ NFKBIA P25963 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL13265928 0.81 DDX3X (0.57) DDX3XKMT2AMAPTKDM4ECYTH2
SCHEMBL13265924 0.76 KMT2A (0.58) KMT2AMAPTKDM4ENFKBIARELA
SCHEMBL14537878 0.76 L3MBTL1 (0.51) KMT2AMAPTCYP19A1ALDH1A1GAA
SCHEMBL13265681 0.75 KMT2A (0.60) KMT2AMAPTCYP19A1ALDH1A1MEN1
SCHEMBL13265689 0.74 ALDH1A1 (0.55) KMT2AMAPTCYP19A1KDM1AMAOA
SCHEMBL13265932 0.74 KMT2A (0.62) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL7176595 0.73 ALDH1A1 (0.66) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL11863940 0.73 DDX3X (1.00) DDX3XKMT2AMAPTKDM4ENFKBIA
SCHEMBL23057254 0.72 GAA (0.59) DDX3XKMT2AMAPTKDM4EALDH1A1
SCHEMBL18023815 0.72 DDX3X (0.74) DDX3XKMT2AMAPTKDM4ECYTH2

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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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 (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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 DDX3X 322/4885KMT2A 1930/4885MAPT 2825/4885

“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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