SCHEMBL13265966

SCHEMBL13265966

O=[N+]([O-])c1ccc(Oc2ccccc2S(=O)(=O)Nc2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.51
▸ PKM P14618 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALPL P05186 2/20 0.48
▸ PGR P06401 2/20 0.47
▸ AMY1A P0DUB6 1/20 0.47
▸ TSHR P16473 2/20 0.43
▸ AR P10275 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MLNR O43193 1/20 0.43
▸ MMP1 P03956 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
SCHEMBL13265972 0.87 ALPL (0.65) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13265822 0.86 LMNA (0.58) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13265971 0.82 L3MBTL1 (0.63) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL12190245 0.80 MMP1 (0.54) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13265815 0.79 AMY1A (0.54) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13265819 0.77 MAPT (0.51) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13265847 0.76 ALDH1A1 (0.51) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13265987 0.76 RAB9A (0.48) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL28326327 0.75 HSPB1 (0.50) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13265978 0.74 DDX3X (0.46) KMT2ALMNASMN1; SMN2MEN1MAPT

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 KMT2A 1930/4885LMNA 2874/4885SMN1; SMN2 4378/4885

“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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