SCHEMBL18585156

SCHEMBL18585156

COC(=O)c1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2Cl)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.52
▸ RORC P51449 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 5/20 0.47
▸ PYGL P06737 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL18584854 0.93 PYGL (0.54) KCNMA1RORCSMN1; SMN2KDM4EMAPT
SCHEMBL18584852 0.84 MAPT (0.62) KCNMA1RORCKDM4EMAPTPYGL
SCHEMBL23879956 0.83 MAPT (0.50) KCNMA1RORCSMN1; SMN2KDM4EMAPT
SCHEMBL18584727 0.80 TDP1 (0.51) SMN1; SMN2MAPTALDH1A1PKMTDP1
SCHEMBL18585003 0.79 MAPT (0.46) KCNMA1RORCSMN1; SMN2KDM4EMAPT
SCHEMBL16592413 0.78 KCNMA1 (0.78) KCNMA1RORCSMN1; SMN2KDM4EMAPT
SCHEMBL13265673 0.77 KCNMA1 (0.56) KCNMA1RORCMAPTALDH1A1PKM
SCHEMBL18585211 0.76 ALDH1A1 (0.62) KCNMA1RORCKDM4EMAPTPYGL
SCHEMBL23879977 0.76 MAPT (0.50) KCNMA1RORCKDM4EMAPTALDH1A1
SCHEMBL29886218 0.74 KCNMA1 (0.77) KCNMA1RORCSMN1; SMN2KDM4EMAPT

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 KCNMA1 4844/4885RORC 2117/4885SMN1; SMN2 1952/4885
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, EIF2AK2, ZC3HAV1 KCNMA1 4844/4885RORC 2117/4885SMN1; SMN2 1952/4885

“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.

Send feedback