SCHEMBL2809858

SCHEMBL2809858

O=C(Nc1ccc2[nH]nnc2c1)c1csc(N2CCN(C(=O)OCc3ccc(OC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.43
ATXN2 Q99700 4/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
FAAH O00519 1/20 0.38
P2RY1 P47900 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL2810678 0.92 ENPP2 (0.40) ENPP2ATXN2LMNASMN1; SMN2FAAH
SCHEMBL2806745 0.91 MAPT (0.45) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL2810311 0.91 MAPT (0.42) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL2805530 0.90 MAPT (0.46) ENPP2ATXN2LMNASMN1; SMN2ALDH1A1
SCHEMBL2809795 0.90 MAPT (0.35) ENPP2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL2811498 0.90 MAPT (0.42) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL2810120 0.89 MAPT (0.38) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL2805505 0.88 LMNA (0.43) ENPP2ATXN2LMNAMAPTTSHR
SCHEMBL16927724 0.85 ENPP2 (0.47) ENPP2ATXN2
SCHEMBL13129753 0.81 NAMPT (0.46) SMN1; SMN2MAPTTSHRNPSR1

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 9 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 claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP 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
WO-2009046842-A2 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2009-04-16 WO 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 ENPP2 4652/4885ATXN2 2204/4885LMNA 1974/4885

“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.