SCHEMBL2624006

SCHEMBL2624006

COC(=O)c1c(C)c(Br)cc([N+](=O)[O-])c1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
GAA P10253 3/20 0.43
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 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
SCHEMBL3796800 0.84 ALDH1A1 (0.46) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL2325578 0.82 MAPT (0.45) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL2624003 0.81 L3MBTL1 (0.42) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL766271 0.80 SMN1; SMN2 (0.49) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL13277488 0.77 CYP1A2 (0.41) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL27903567 0.77 L3MBTL1 (0.41) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL31381636 0.77 CYP1A2 (0.41) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL22367828 0.76 SMN1; SMN2 (0.40) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL1335324 0.75 KMT2A (0.46) MAPTGAALMNAALDH1A1HPGD
SCHEMBL12225198 0.75 ALDH1A1 (0.48) MAPTGAAPOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 EP disclosed
WO-2014092104-A1 OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL USE OF SAME 大日本住友製薬株式会社 (JP) 2014-06-19 WO disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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 (5 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 MAPT 4634/4885GAA 930/4885POLB 399/4885
US-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885GAA 4568/4885POLB 2761/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885GAA 4568/4885POLB 2761/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885GAA 4568/4885POLB 2761/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885GAA 4568/4885POLB 2761/4885

“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.