SCHEMBL13265847

SCHEMBL13265847

O=[N+]([O-])c1ccc(Sc2ccccc2S(=O)(=O)Nc2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ PKM P14618 1/20 0.50
▸ CA2 P00918 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GUSB P08236 1/20 0.45
▸ PDE4B Q07343 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ PDE7B Q9NP56 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ ALPL P05186 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
SCHEMBL13240458 0.90 CA2 (0.61) PKMCA2CA12CA9MAPT
SCHEMBL13265862 0.87 ALPL (0.56) ALDH1A1PKMCA2CA12CA9
SCHEMBL13265731 0.83 MEN1 (0.49) ALDH1A1PKMCA2CA12CA9
SCHEMBL13265865 0.78 ALDH1A1 (0.70) ALDH1A1PKMCA2CA12CA9
SCHEMBL13265711 0.77 HPGD (0.50) ALDH1A1PKMMAPTLMNASMN1; SMN2
SCHEMBL13265966 0.76 KMT2A (0.58) ALDH1A1PKMCA2CA12CA9
SCHEMBL13265730 0.76 ALDH1A1 (0.51) ALDH1A1MAPTLMNAGUSBKMT2A
SCHEMBL13265852 0.76 MEN1 (0.65) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL13265837 0.76 POLB (0.48) ALDH1A1PKMMAPTLMNASMN1; SMN2
SCHEMBL13265727 0.74 GUSB (0.48) ALDH1A1PKMMAPTLMNASMN1; SMN2

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 4359/4885PKM 3412/4885CA2 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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