SCHEMBL18585000

SCHEMBL18585000

COC(=O)c1ccc(N)cc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
PDE7A Q13946 5/20 0.49
HPGD P15428 5/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE7B Q9NP56 1/20 0.40

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
SCHEMBL18641503 0.85 MAPT (0.46) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL23879982 0.84 MAPT (0.58) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL7921377 0.84 GAA (0.54) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL2954723 0.82 SMN1; SMN2 (0.58) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL23879956 0.81 MAPT (0.50) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL18585210 0.79 MAPT (0.39) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL18641436 0.78 MAPT (0.49) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL18584727 0.77 TDP1 (0.51) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL23879977 0.77 MAPT (0.50) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL6935214 0.76 GAA (0.46) KMT2AMAPTMEN1ALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KMT2A 3809/4885MAPT 4251/4885MEN1 4609/4885
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, EIF2AK2, ZC3HAV1 KMT2A 3809/4885MAPT 4251/4885MEN1 4609/4885

“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.