SCHEMBL1947428

SCHEMBL1947428

OCc1ccc(-c2cn3nc(NCc4ccco4)sc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1944391 0.89 ALDH1A1 (0.61) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL1945218 0.89 TP53 (0.53) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL2253676 0.86 FYN (0.52) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL1944709 0.83 ALDH1A1 (0.48) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL1944362 0.83 RAB9A (0.46) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL1944453 0.83 TP53 (0.51) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL1944528 0.83 FYN (0.46) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL1651950 0.82 MAPT (0.47) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL2257045 0.82 ALDH1A1 (0.44) FYNMAPTALDH1A1KDM4EGAA
SCHEMBL1947359 0.82 FYN (0.65) FYNMAPTALDH1A1KDM4EGAA

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
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885MAPT 4021/4885ALDH1A1 416/4885

“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.