SCHEMBL13265978

SCHEMBL13265978

Cc1c(O)cccc1NS(=O)(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 1/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ TBXA2R P21731 7/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MLNR O43193 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL13265815 0.83 AMY1A (0.54) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13265727 0.79 GUSB (0.48) DDX3XMEN1KMT2ALMNAMAPT
SCHEMBL12190245 0.78 MMP1 (0.54) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13265822 0.77 LMNA (0.58) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13265810 0.76 MAPT (0.51) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13265966 0.74 KMT2A (0.58) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL28326327 0.74 HSPB1 (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13265971 0.73 L3MBTL1 (0.63) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5080248 0.73 HSPB1 (0.56) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL28087813 0.72 HSPB1 (0.49) MEN1KMT2ALMNAMAPTSMN1; 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 DDX3X 322/4885MEN1 3658/4885KMT2A 1930/4885

“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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