SCHEMBL1945306

SCHEMBL1945306

Cc1ccccc1CNc1nn2cc(-c3ccc(C(=O)NCCO)cc3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FYN P06241 2/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SCN2A Q99250 1/20 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
SCHEMBL1943870 0.83 FYN (0.52) MAPTFYN
SCHEMBL1944812 0.82 THRB (0.48) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL1946532 0.82 KDM4E (0.51) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL1944146 0.82 RAB9A (0.49) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL1944709 0.81 ALDH1A1 (0.48) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL1944353 0.81 MAPT (0.47) MAPTALDH1A1KDM4ELMNATHRB
SCHEMBL1946313 0.81 FYN (0.52) MAPTKDM4ELMNAPOLBFYN
SCHEMBL1944750 0.81 ALDH1A1 (0.44) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL1945156 0.81 THRB (0.51) MAPTLMNAFYNNPC1RAB9A
SCHEMBL1945304 0.80 FYN (0.62) NPSR1L3MBTL1FYNTHRB

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 MAPT 4021/4885ALDH1A1 416/4885KDM4E 2685/4885

“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.