SCHEMBL13265865

SCHEMBL13265865

O=[N+]([O-])c1ccc(Sc2cccc(S(=O)(=O)Nc3ccncc3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.70
▸ KMT2A Q03164 7/20 0.57
▸ CA2 P00918 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ PGR P06401 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL13265868 0.88 KMT2A (0.64) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265923 0.86 KMT2A (0.56) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265926 0.86 CA2 (0.51) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265921 0.83 PLAU (0.56) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265931 0.83 HTR6 (0.53) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265922 0.82 ABL1 (0.49) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265929 0.82 MEN1 (0.62) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL13265840 0.81 KMT2A (0.47) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265839 0.81 KMT2A (0.49) ALDH1A1KMT2ACA2CA12CA9
SCHEMBL13265927 0.80 ALDH1A1 (0.55) ALDH1A1KMT2ACA2CA12CA9

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 ALDH1A1 4359/4885KMT2A 1930/4885CA2 4843/4885

“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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