SCHEMBL13265928

SCHEMBL13265928

Cc1c(O)cccc1NS(=O)(=O)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYTH2 Q99418 1/20 0.46
▸ NFKBIA P25963 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ EDNRA P25101 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL13265727 0.81 GUSB (0.48) DDX3XKDM4EMAPTKMT2AALDH1A1
SCHEMBL14537875 0.81 DDX3X (0.57) DDX3XKDM4EMAPTKMT2AALDH1A1
SCHEMBL13265867 0.81 ALDH1A1 (0.60) DDX3XMAPTKMT2AALDH1A1MEN1
SCHEMBL13265922 0.81 ABL1 (0.49) DDX3XKDM4EMAPTKMT2AALDH1A1
SCHEMBL13265854 0.76 CASP3 (0.54) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL13265839 0.76 KMT2A (0.49) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL13265923 0.76 KMT2A (0.56) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL13265865 0.76 ALDH1A1 (0.70) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL13265926 0.76 CA2 (0.51) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL13265838 0.76 L3MBTL1 (0.51) KDM4EMAPTKMT2AALDH1A1MEN1

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
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
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 322/4885KDM4E 980/4885MAPT 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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