SCHEMBL1944709

SCHEMBL1944709

O=C(NCCO)c1ccc(-c2cn3nc(NCc4ccco4)sc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 5/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
FYN P06241 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK1 P49759 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2253676 0.86 FYN (0.52) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1944812 0.84 THRB (0.48) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL1947428 0.83 FYN (0.50) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1944391 0.83 ALDH1A1 (0.61) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL1945218 0.83 TP53 (0.53) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1945306 0.81 MAPT (0.48) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL1944353 0.81 MAPT (0.47) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL1944706 0.80 FYN (0.64) ALDH1A1MAPTPOLBFYN
SCHEMBL1944146 0.80 RAB9A (0.49) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1946532 0.80 KDM4E (0.51) ALDH1A1MAPTNPC1RAB9ALMNA

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
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
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 ALDH1A1 416/4885MAPT 4021/4885POLB 3171/4885

“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.