SCHEMBL16387385

SCHEMBL16387385

NC(=O)c1cc(SCc2ccccc2)sc1NC(=O)c1cc[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CFTR P13569 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL19494883 0.84 CFTR (0.45) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL19494339 0.79 MAPT (0.38) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL19494909 0.76 MAPT (0.37) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL19494498 0.76 CFTR (0.40) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL19494512 0.76 IKBKB (0.41) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL19494424 0.76 MAPT (0.38) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL16387386 0.76 MAPT (0.40) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL19494715 0.75 CFTR (0.38) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL16263654 0.75 CFTR (0.69) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL16338677 0.75 CFTR (0.52) KDM4EALDH1A1HPGDMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 — — US disclosed
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 — — US disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 — — US disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 — — US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 — — US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 — — US disclosed
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. GALAPAGOS NV (BE) 2015-01-01 — — US disclosed
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. GALAPAGOS NV (BE) 2015-01-01 — — 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 (2 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-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC3, ABCC5 KDM4E 3789/4885ALDH1A1 1522/4885HPGD 1858/4885
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. CFTR, ABCC3, ABCC5 KDM4E 3797/4885ALDH1A1 1464/4885HPGD 1909/4885

“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.

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