SCHEMBL20707804

SCHEMBL20707804

CC(C)C(=O)Nc1ccc2[nH]c(-c3nccs3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNB1 Q14721 5/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NR2E3 Q9Y5X4 2/20 0.43
KLK7 P49862 1/20 0.43
KCNA5 P22460 2/20 0.43
KCNH2 Q12809 1/20 0.43
METAP1 P53582 1/20 0.41
GAA P10253 1/20 0.41
SLC2A1 P11166 1/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL6091959 0.86 LMNA (0.53) KCNB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6094823 0.86 LMNA (0.53) KCNB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4363672 0.84 FFAR2 (0.55) KMT2A
SCHEMBL6092098 0.83 HSD17B10 (0.46) ADORA2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6096686 0.79 EPHX1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL4372959 0.79 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL2242067 0.78 NR2E3 (0.60) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL4371236 0.78 ROCK2 (0.47) ADORA2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4367691 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL4365497 0.77 MAPT (0.45) ALDH1A1KDM4EHPGDTP53SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10813914-B2 Composition for controlling microsporidia in fishes and method for controlling microsporidia in fishes using same MARUHA NICHIRO CORPORATION (JP) 2020-10-27 US disclosed
US-20190111027-A1 COMPOSITION FOR CONTROLLING MICROSPORIDIA IN FISHES AND METHOD FOR CONTROLLING MICROSPORIDIA IN FISHES USING SAME MARUHA NICHIRO CORPORATION (JP) 2019-04-18 US disclosed
EP-3437642-A1 COMPOSITION FOR CONTROLLING MICROSPORIDIA IN FISHES AND METHOD FOR CONTROLLING MICROSPORIDIA IN FISHES USING SAME Maruha Nichiro Corporation (JP) 2019-02-06 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 (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-10813914-B2 Composition for controlling microsporidia in fishes and method for controlling microsporidia in fishes using same MUSK, MRM1, RRS1 ADORA2A 3874/4885NPSR1 430/4885KCNB1 1071/4885
US-20190111027-A1 COMPOSITION FOR CONTROLLING MICROSPORIDIA IN FISHES AND METHOD FOR CONTROLLING MICROSPORIDIA IN FISHES USING SAME MUSK, MRM1, RRS1 ADORA2A 3874/4885NPSR1 430/4885KCNB1 1071/4885

“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.