SCHEMBL3512431

SCHEMBL3512431

CC(C)(C)N(C(=O)O)c1cccc(Oc2ccc(N)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
BRCA1 P38398 1/20 0.54
HBB P68871 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.40
KEAP1 Q14145 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
LIPE Q05469 4/20 0.38
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL3511358 0.82 HSPB1 (0.46) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL3511355 0.82 HSPB1 (0.46) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL3511097 0.80 CDK8 (0.53)
SCHEMBL2453206 0.80 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL3509911 0.80 MEN1 (0.48) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL1259549 0.80 MEN1 (0.48) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL16493530 0.79 MAPK10 (0.36) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL3511679 0.78 NPC1 (0.38) ALDH1A1RAB9AF2F10HTT
SCHEMBL4003246 0.77 MAPK10 (0.36) MEN1KMT2ARAB9AGAAKEAP1
SCHEMBL3507249 0.77 MRGPRX4 (0.43) MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDM4E 1242/4885MEN1 627/4885KMT2A 974/4885

“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.