SCHEMBL345596

SCHEMBL345596

CC(C)(C)N(C(=O)O)c1cc(F)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
POLB P06746 1/20 0.35
GRM5 P41594 4/20 0.34
KMO O15229 2/20 0.33
KDM5A P29375 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NAPRT Q6XQN6 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
DHODH Q02127 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL16989304 0.82 RAB9A (0.44) KDM4EPOLBKMOKDM5AKDM5B
SCHEMBL3478261 0.81 TOP2A (0.38) KDM4EKMOALDH1A1NPC1
SCHEMBL1094625 0.81 L3MBTL1 (0.42) POLBGRM5KMOALDH1A1KDM4C
SCHEMBL2049041 0.81 ALDH1A1 (0.46) KDM4EPOLBKDM5AKDM5BALDH1A1
SCHEMBL957218 0.78 KDM4E (0.34) KDM4EPOLBKDM5AKDM5BALDH1A1
SCHEMBL15050216 0.78 RECQL (0.41) POLBKDM5AKDM5BALDH1A1SLC22A12
SCHEMBL20360737 0.78 POLB (0.34) KDM4EPOLBKDM5AKDM5BALDH1A1
SCHEMBL1426504 0.78 NOS3 (0.41) POLBALDH1A1
SCHEMBL15878410 0.77 HCRTR1 (0.41) KDM4C
SCHEMBL15049989 0.77 POLB (0.39) KDM4EASPHKDM8POLBKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061118-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 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 (3 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KDM4E 729/4885ASPH 310/4885KDM8 158/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KDM4E 883/4885ASPH 319/4885KDM8 236/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 KDM4E 1339/4885ASPH 1621/4885KDM8 1382/4885

“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.