SCHEMBL3448228

SCHEMBL3448228

CC(C)(C)OC(=O)N1CCOCC1C(=O)N(CC=O)c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
UCHL1 P09936 3/20 0.34
USP30 Q70CQ3 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ESRRB O95718 1/20 0.33
ESR1 P03372 1/20 0.33
ESRRA P11474 1/20 0.33
ESRRG P62508 1/20 0.33
ATM Q13315 2/20 0.33
KLK7 P49862 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
F10 P00742 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL571212 0.85 UCHL1 (0.46) KMT2AUCHL1USP30FPR3FPR2
SCHEMBL3448503 0.84 UCHL1 (0.43) KMT2AUCHL1USP30FPR3FPR2
SCHEMBL12098492 0.78 RORC (0.35) KMT2AUCHL1USP30NR1H2NR1H3
SCHEMBL205118 0.74 KMT2A (0.36) KMT2AUCHL1USP30SMN1; SMN2USP2
SCHEMBL26364463 0.74 MEN1 (0.41) KMT2AUCHL1USP30SMN1; SMN2USP2
SCHEMBL2492656 0.73 SMN1; SMN2 (0.46) USP30SMN1; SMN2USP2ATMNPC1
SCHEMBL3926528 0.73 SMN1; SMN2 (0.46) USP30SMN1; SMN2USP2ATMNPC1
SCHEMBL2709738 0.73 NPC1 (0.41) KMT2AUCHL1USP30SMN1; SMN2ATM
SCHEMBL205117 0.73 NPC1 (0.41) KMT2AUCHL1USP30SMN1; SMN2ATM
SCHEMBL21682785 0.73 NR1H2 (0.50) KMT2AUCHL1SMN1; SMN2USP2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012123298-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120230951-A1 ANTIVIRAL COMPOUNDS ALAM MUZAFFAR (US) 2012-09-13 US disclosed
US-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 US disclosed
WO-2010094977-A1 NOVEL BIPHENYL COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 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 (2 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 KMT2A 4641/4885UCHL1 2514/4885USP30 3899/4885
US-20120230951-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KMT2A 4398/4885UCHL1 1272/4885USP30 2289/4885

“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.