SCHEMBL22801080

SCHEMBL22801080

Nc1nc(-c2cccc(Oc3ccccc3)c2)cs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.73
NPC1 O15118 6/20 0.73
ALDH1A1 P00352 7/20 0.66
MAPT P10636 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
KDM4E B2RXH2 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 1/20 0.62
AR P10275 1/20 0.61
GFER P55789 1/20 0.61
HPGD P15428 2/20 0.59
HK1 P19367 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
LTA4H P09960 4/20 0.54
FBP1 P09467 1/20 0.52

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
SCHEMBL6256294 0.85 RAB9A (1.00) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL235435 0.84 LTA4H (0.67) RAB9ANPC1ALDH1A1MAPTMEN1
Iodide SCHEMBL5464284 0.83 RAB9A (0.97) RAB9ANPC1ALDH1A1MAPTMEN1
Iodide SCHEMBL5459815 0.83 RAB9A (0.97) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL1399840 0.83 ALDH1A1 (0.76) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL8598725 0.83 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1MAPTMEN1
Iodide SCHEMBL5460208 0.82 RAB9A (0.87) RAB9ANPC1ALDH1A1MAPTMEN1
Bromide SCHEMBL8359230 0.82 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL44869 0.80 ALDH1A1 (1.00) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL15580546 0.80 MAPT (0.59) RAB9ANPC1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 US disclosed
US-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 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 (1 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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS MAVS, ZC3HAV1, EIF2AK2 RAB9A 1589/4885NPC1 1860/4885ALDH1A1 384/4885

“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.