SCHEMBL19782991

SCHEMBL19782991

c1ccc(-c2csc(NCc3ncccn3)n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
KMT2A Q03164 3/20 0.60
RELA Q04206 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 2/20 0.60
PPP1CA P62136 2/20 0.60
NR1I2 O75469 1/20 0.60
MECP2 P51608 1/20 0.60
KCNN1 Q92952 1/20 0.60
KCNN2 Q9H2S1 1/20 0.60
MBD2 Q9UBB5 1/20 0.60
KCNN3 Q9UGI6 1/20 0.60
NPY5R Q15761 7/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL1017669 0.87 ALDH1A1 (0.67) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL23222310 0.81 ALDH1A1 (0.65) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL24257646 0.81 NPY5R (0.64) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL7678939 0.80 MAPT (0.81) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL24257641 0.79 MAPT (0.62) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL24257655 0.79 MAPT (0.57) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL24257425 0.79 MAPT (0.62) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
Bromide SCHEMBL7673197 0.79 MAPT (0.79) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
SCHEMBL3915911 0.78 MAPT (0.88) MAPTSMN1; SMN2NFKB1NFKB2KMT2A
Bromide SCHEMBL6930883 0.77 MAPT (0.86) MAPTSMN1; SMN2NFKB1NFKB2KMT2A

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-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 MAPT 307/4885SMN1; SMN2 1331/4885NFKB1 4036/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 MAPT 307/4885SMN1; SMN2 1331/4885NFKB1 4036/4885

“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.