SCHEMBL2963062

SCHEMBL2963062

O=C(O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 2/20 0.60
RAB9A P51151 1/20 0.60
HTT P42858 1/20 0.52
PDE7A Q13946 1/20 0.50
GSTP1 P09211 1/20 0.50
GSTM2 P28161 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
POLB P06746 3/20 0.49
BCL2L1 Q07817 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL10384494 0.93 LMNA (0.57) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13240455 0.86 LMNA (0.62) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13240454 0.86 LMNA (0.62) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27912267 0.86 SIRT1 (0.66) LMNASMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27930269 0.85 SIRT1 (0.64) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL26676263 0.84 HSP90AA1 (0.53) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7920060 0.83 PDE7A (0.60) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2954723 0.82 SMN1; SMN2 (0.58) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL231042 0.81 SIRT1 (0.71) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10483038 0.80 SMN1; SMN2 (0.50) LMNASMN1; SMN2MAPTMEN1KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381133-A1 TAU AND AMYLOID PROTEIN LOWERING COMPOUNDS AND METHODS OF USE HAMAD BIN KHALIFA UNIVERSITY (QA) 2023-11-30 US disclosed
US-20230381133-A1 TAU AND AMYLOID PROTEIN LOWERING COMPOUNDS AND METHODS OF USE HAMAD BIN KHALIFA UNIVERSITY (QA) 2023-11-30 US disclosed
US-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 US disclosed
US-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 US disclosed
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MIAMI 2018-10-18 US disclosed
WO-2017040693-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-09 WO disclosed
WO-2017040693-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-09 WO disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
EP-1945208-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION University of Massachusetts (US) 2008-07-23 EP disclosed
WO-2007044565-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION UNIVERSITY OF MASSACHUSETTS (US) 2007-04-19 WO disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
WO-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP disclosed
EP-0299329-A2 Process for the preparation of 2-arylthiobenzoic acids CASSELLA Aktiengesellschaft (DE) 1989-01-18 EP 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 (3 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-11136301-B2 Broad spectrum antiviral compounds and uses thereof MAVS, EIF2AK2, ZC3HAV1 LMNA 3525/4885SMN1; SMN2 1952/4885MAPT 4251/4885
US-20230381133-A1 TAU AND AMYLOID PROTEIN LOWERING COMPOUNDS AND METHODS OF USE MAPT, TTR, HTT LMNA 886/4885SMN1; SMN2 48/4885MAPT 1/4885
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, EIF2AK2, ZC3HAV1 LMNA 3525/4885SMN1; SMN2 1952/4885MAPT 4251/4885

“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.