SCHEMBL4627435

SCHEMBL4627435

CC(C)c1ccc(NC(=N)NC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
DEGS1 O15121 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 1/20 0.51
PLK1 P53350 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
MITF O75030 1/20 0.47
MMP3 P08254 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CFTR P13569 1/20 0.46
STING1 Q86WV6 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL4627470 0.84 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4629385 0.84 SMN1; SMN2 (0.51) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4628504 0.84 MEN1 (0.58) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL4629439 0.82 JAK2 (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4629403 0.80 CRHBP (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5427460 0.79 MMP3 (0.67) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL4629293 0.77 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4627444 0.75 SCN2A (0.57) NPC1RAB9AMEN1KMT2APLK1
SCHEMBL4629265 0.75 MEN1 (0.59) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL23125514 0.75 FADS1 (0.69) NPC1RAB9ADEGS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA NPC1 140/4885RAB9A 617/4885DEGS1 1492/4885

“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.