SCHEMBL3642839

SCHEMBL3642839

O=C(Nc1ccccc1)c1ccc(Br)o1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.88
▸ RAB9A P51151 8/20 0.88
▸ LMNA P02545 8/20 0.88
▸ MEN1 O00255 6/20 0.88
▸ KMT2A Q03164 6/20 0.88
▸ TSHR P16473 4/20 0.88
▸ HPGD P15428 3/20 0.88
▸ TDP1 Q9NUW8 3/20 0.88
▸ SMN1; SMN2 Q16637 7/20 0.75
▸ NPC1 O15118 6/20 0.72
▸ PPARG P37231 1/20 0.72
▸ NCOA2 Q15596 1/20 0.72
▸ NCOA1 Q15788 1/20 0.72
▸ NCOA3 Q9Y6Q9 1/20 0.72
▸ ALDH1A1 P00352 6/20 0.71
▸ MAPK1 P28482 3/20 0.69
▸ USP2 O75604 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ POLB P06746 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.68

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
SCHEMBL18180861 0.83 RAB9A (0.70) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL7718014 0.83 RAB9A (0.70) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL22804219 0.83 RAB9A (0.70) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL4020988 0.83 RAB9A (0.70) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL28958728 0.82 RAB9A (0.63) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL31337431 0.81 MAPT (0.70) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL11888590 0.79 ALDH1A1 (1.00) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL2532969 0.79 RAB9A (0.72) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL12136717 0.79 KMT2A (1.00) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL4018260 0.78 NPC1 (0.61) MAPTRAB9ALMNAMEN1KMT2A

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
WO-2025022031-A1 NEW DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-01-30 — — 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
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

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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 MAPT 1249/4885RAB9A 1012/4885LMNA 3472/4885

“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.

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