SCHEMBL3716281

SCHEMBL3716281

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 7/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
AHR P35869 1/20 0.53
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
P4HA1 P13674 1/20 0.45
MIF P14174 1/20 0.45
HCAR3 P49019 1/20 0.44
NAMPT P43490 1/20 0.44
HDAC1 Q13547 1/20 0.43
METAP1 P53582 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL29768539 1.00 P4HTM (0.53) P4HTMMEN1KMT2AAHRKDM4E
SCHEMBL22874499 0.91 P4HTM (0.65) P4HTMMEN1KMT2AAHRKDM4E
SCHEMBL2385252 0.89 MEN1 (0.55) P4HTMMEN1KMT2AAHRKDM4E
SCHEMBL14885229 0.88 MEN1 (0.57) P4HTMMEN1KMT2AAHRKDM4E
SCHEMBL22874503 0.85 MEN1 (0.57) P4HTMMEN1KMT2AAHRKDM4E
SCHEMBL3662421 0.84 F10 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5229725 0.84 MEN1 (0.45) P4HTMMEN1KMT2AAHRKDM4E
SCHEMBL5228223 0.84 MDM4 (0.62) P4HTMMEN1KMT2AAHRKDM4E
SCHEMBL5227380 0.82 SMN1; SMN2 (0.47) MEN1KMT2AAHRALDH1A1NPC1
SCHEMBL2384644 0.81 HDAC1 (0.47) P4HTMMEN1KMT2AAHRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021007313-A1 WNT ACTIVATORS AND METHODS OF USE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-01-14 WO disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2220042-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2010-08-25 EP disclosed
WO-2009063054-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2009-05-22 WO disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 P4HTM 3871/4885MEN1 2479/4885KMT2A 318/4885

“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.