SCHEMBL1944362

SCHEMBL1944362

OCc1ccccc1-c1cn2nc(NCc3ccco3)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
KMT2A Q03164 4/20 0.46
FYN P06241 5/20 0.43
MAPT P10636 9/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38

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
SCHEMBL1945451 0.85 F2RL3 (0.50) RAB9ANPC1KMT2AFYNMAPT
SCHEMBL1944473 0.84 ADORA2A (0.45) RAB9ANPC1KMT2AFYNMAPT
SCHEMBL1947428 0.83 FYN (0.50) RAB9ANPC1KMT2AFYNMAPT
SCHEMBL1945218 0.83 TP53 (0.53) RAB9ANPC1KMT2AFYNMAPT
SCHEMBL1946814 0.82 FYN (0.43) RAB9ANPC1KMT2AFYNALDH1A1
SCHEMBL1945333 0.82 FYN (0.44) RAB9ANPC1KMT2AFYNMAPT
SCHEMBL1945777 0.81 FYN (0.42) FYNADORA2ASMN1; SMN2TP53
SCHEMBL1944391 0.81 ALDH1A1 (0.61) RAB9ANPC1KMT2AFYNMAPT
SCHEMBL1943903 0.80 MAPT (0.41) FYNMAPTGAAADORA2ALMNA
SCHEMBL1944943 0.79 F2RL3 (0.39) RAB9ANPC1FYNMAPTKDM4E

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 RAB9A 2542/4885NPC1 3811/4885KMT2A 1586/4885

“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.