SCHEMBL4628504

SCHEMBL4628504

CC(C)Oc1ccc(NC(=N)NC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
DEGS1 O15121 1/20 0.53
PNLIP P16233 1/20 0.53
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR1H4 Q96RI1 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
MITF O75030 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
PLK1 P53350 1/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4627435 0.84 NPC1 (0.56) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL4628765 0.81 KMT2A (0.61) MEN1KMT2ANPC1RAB9APNLIP
SCHEMBL4629265 0.79 MEN1 (0.59) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL4628513 0.77 SCN2A (0.60) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL13451640 0.77 MEN1 (0.73) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL14413344 0.76 MEN1 (0.72) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL5427460 0.76 MMP3 (0.67) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL4628517 0.75 SCN5A (0.57) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL4629387 0.75 NPC1 (0.61) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL10960859 0.74 KMT2A (1.00) MEN1KMT2ANPC1RAB9ADEGS1

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 MEN1 1819/4885KMT2A 3245/4885NPC1 140/4885

“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.