SCHEMBL1945451

SCHEMBL1945451

Clc1ccccc1-c1cn2nc(NCc3ccco3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.50
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 8/20 0.44
MAPT P10636 8/20 0.44
KDM4E B2RXH2 6/20 0.44
MAPK1 P28482 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
FYN P06241 3/20 0.44
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 3/20 0.40

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
SCHEMBL1944362 0.85 RAB9A (0.46) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL1945218 0.84 TP53 (0.53) F2RL3RAB9ANPC1KMT2AALDH1A1
SCHEMBL1945633 0.83 F2RL3 (0.55) F2RL3RAB9ANPC1KMT2AALDH1A1
SCHEMBL1946029 0.82 F2RL3 (0.51) F2RL3RAB9AKMT2AALDH1A1MAPT
SCHEMBL1945663 0.82 FYN (0.43) F2RL3RAB9ANPC1KMT2AALDH1A1
SCHEMBL1943839 0.81 F2RL3 (0.52) F2RL3ALDH1A1MAPK1ALOX15FYN
SCHEMBL1944391 0.81 ALDH1A1 (0.61) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL1945107 0.80 F2RL3 (0.51) F2RL3MAPTGAALMNASMN1; SMN2
SCHEMBL1945228 0.80 F2RL3 (0.54) F2RL3RAB9ANPC1MAPTKDM4E
SCHEMBL1944528 0.79 FYN (0.46) RAB9ANPC1KMT2AALDH1A1MAPT

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 F2RL3 1121/4885RAB9A 2542/4885NPC1 3811/4885

“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.