SCHEMBL8463533

SCHEMBL8463533

CCC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.78
KMT2A Q03164 10/20 0.78
NPC1 O15118 9/20 0.78
RAB9A P51151 9/20 0.78
MAPT P10636 6/20 0.78
STAT3 P40763 5/20 0.78
ALDH1A1 P00352 4/20 0.78
PKM P14618 4/20 0.78
LMNA P02545 3/20 0.78
HTT P42858 3/20 0.78
NPSR1 Q6W5P4 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
MLNR O43193 1/20 0.78
NR1I2 O75469 1/20 0.78
ABCB11 O95342 1/20 0.78
TP53 P04637 1/20 0.78
ADRB2 P07550 1/20 0.78
CHRM2 P08172 1/20 0.78
ADRB1 P08588 1/20 0.78
CYP3A4 P08684 1/20 0.78

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
SCHEMBL12994091 0.91 ALDH1A1 (0.65) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18012517 0.90 ALDH1A1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL30142740 0.89 MEN1 (0.82) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27134627 0.88 MEN1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
Nitazoxanide SCHEMBL29373905 0.88 STAT3 (1.00) MEN1KMT2ANPC1RAB9AMAPT
Nitazoxanide SCHEMBL5055353 0.88 STAT3 (1.00) MEN1KMT2ANPC1RAB9AMAPT
Nitazoxanide SCHEMBL40981 0.88 STAT3 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056942 0.88 STAT3 (0.83) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL19628268 0.88 MEN1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16687500 0.88 MEN1 (0.76) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11850237-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2023-12-26 US disclosed
US-20180078533-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA ROMARK LABORATORIES L.C. (US) 2018-03-22 US disclosed
US-9820975-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2017-11-21 US disclosed
US-20160228415-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA ROMARK LABORATORIES L.C. (US) 2016-08-11 US disclosed
US-9345690-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2016-05-24 US disclosed
US-20150250768-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA ROMARK LABORATORIES L.C. (US) 2015-09-10 US disclosed
US-9023877-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2015-05-05 US disclosed
US-5935591-A Method for treatment of equine protozoal myeloencephalitis with thiazolides ROMARK LABORATORIES, L.C. (US) 1999-08-10 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 (4 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-20150250768-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA HIF1AN, HAVCR2, NEU1 MEN1 3237/4885KMT2A 2029/4885NPC1 473/4885
US-20180078533-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA HIF1AN, HAVCR2, NEU1 MEN1 3237/4885KMT2A 2029/4885NPC1 473/4885
US-11850237-B2 Compounds and methods for treating influenza HIF1AN, HAVCR2, NEU1 MEN1 3237/4885KMT2A 2029/4885NPC1 473/4885
US-20160228415-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA HIF1AN, HAVCR2, NEU1 MEN1 3237/4885KMT2A 2029/4885NPC1 473/4885

“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.