SCHEMBL2809666

SCHEMBL2809666

O=C(Nc1ccc2[nH]nnc2c1)c1csc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
HTR2C P28335 1/20 0.42
MCHR1 Q99705 1/20 0.42
ALOX5 P09917 1/20 0.41
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMO Q99835 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
SCHEMBL16927758 0.89 NFKB1 (0.40) ALDH1A1HTTMAPTRAB9ANFKB1
SCHEMBL2810198 0.86 MAPT (0.44) LMNAKMT2AMEN1MCHR1MAPT
SCHEMBL2809050 0.86 ENPP2 (0.43) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL2808900 0.83 ENPP2 (0.41) LMNAHTTKMT2AMAPTTP53
SCHEMBL16927759 0.83 NFKB1 (0.39) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL2810118 0.80 EPHX2 (0.42) HTR2CMCHR1MAPTTP53CYP2C9
SCHEMBL2806616 0.78 MCHR1 (0.41) LMNAMCHR1MAPT
SCHEMBL2809956 0.78 ALOX12 (0.39) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL13129773 0.77 ENPP2 (0.41) MAPTTP53HPGD
SCHEMBL2810007 0.77 NFKB1 (0.38) LMNAALDH1A1HTTKMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 LMNA 1974/4885ALDH1A1 1055/4885HTT 1577/4885

“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.