SCHEMBL3676705

SCHEMBL3676705

Cc1nc([N+](=O)[O-])c(Br)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
HTT P42858 5/20 0.38
POLB P06746 1/20 0.38
GALR3 O60755 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL58940 0.80 MAPT (0.38) MAPTGALR3ALDH1A1MEN1KMT2A
SCHEMBL64089 0.77 MAPT (0.35) MAPTPOLBGALR3ALDH1A1SMN1; SMN2
SCHEMBL8953652 0.76 MAPT (0.45) MAPTPOLBGALR3ALDH1A1SMN1; SMN2
SCHEMBL4304025 0.74 SMN1; SMN2 (0.36) MAPTPOLBGALR3ALDH1A1SMN1; SMN2
SCHEMBL3641126 0.74 GALR3 (0.39) MAPTHTTGALR3ALDH1A1SMN1; SMN2
SCHEMBL11405724 0.74 KMT2A (0.38) MAPTGALR3ALDH1A1SMN1; SMN2CSNK2A1
SCHEMBL5030585 0.74 MAPT (0.37) MAPTGALR3ALDH1A1
SCHEMBL4576154 0.74 ALDH1A1 (0.39) MAPTHTTPOLBALDH1A1SMN1; SMN2
SCHEMBL13909523 0.72 MAPT (0.36) MAPTHTTPOLBGALR3ALDH1A1
SCHEMBL8434384 0.71 KDM4E (0.40) MAPTALDH1A1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070045-A2 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THIER PHARMACEUTICAL USE UNIWERSYTET MEDYCZNY IM. KAROLA MARCINKOWSKIEGO W POZNANIU (PL) 2009-06-04 WO claimed
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP disclosed
CN-101821256-A Novel heterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD 2010-09-01 CN disclosed
EP-2178858-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2010-04-28 EP disclosed
WO-2009070045-A2 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THIER PHARMACEUTICAL USE UNIWERSYTET MEDYCZNY IM. KAROLA MARCINKOWSKIEGO W POZNANIU (PL) 2009-06-04 WO disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO disclosed
CN-1289501-C Fused heterotricyclic compound, process for preparing compounds and drugs containing the same EISAI CO LTD (JP) 2006-12-13 CN disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
EP-1408040-B1 Tricyclic fused heterocyclic compounds as CRFantagonists EISAI CO LTD (JP) 2005-07-27 EP disclosed
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
CN-1409713-A Tricyclic fused heterocyclic compound, process for producing the same, and pharmaceutical comprising the same EISAI CO LTD (JP) 2003-04-09 CN disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 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 (4 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 MAPT 1249/4885HTT 834/4885POLB 4712/4885
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 MAPT 4495/4885HTT 1745/4885POLB 4671/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 MAPT 4525/4885HTT 2406/4885POLB 4721/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 MAPT 4525/4885HTT 2406/4885POLB 4721/4885

“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.