SCHEMBL6310965

SCHEMBL6310965

O=[N+]([O-])c1[c]c(Br)ccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 7/20 0.35
GPR35 Q9HC97 2/20 0.35
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NOS1 P29475 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS2 P35228 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL58486 0.84 TSHR (0.46) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL2350187 0.74 TSHR (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL41321 0.74 GPR35 (0.45) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL261451 0.74 TDP1 (0.45) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL3317507 0.74 ALDH1A1 (0.41) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL28989354 0.70 MAPT (0.42) LMNATDP1ALDH1A1CYP1A2MAPT
SCHEMBL28653988 0.70 MAPT (0.39) LMNATDP1ALDH1A1CYP1A2MAPT
SCHEMBL9300521 0.70 TDP1 (0.34) TSHRLMNATDP1ALDH1A1ALOX15
SCHEMBL6047873 0.70 PDE7A (0.33) LMNAALDH1A1CYP3A4CYP2D6CTSB
SCHEMBL11750501 0.70 ERN1 (0.34) ALDH1A1CYP1A2CYP3A4S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395251-A1 NAPHTHYRIDINONE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2021-12-23 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
CN-1829711-B Novel heterocyclic compounds useful for the treatment of inflammatory and allergic disorders, process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS INC U 2010-06-16 CN disclosed
CN-101268075-A Substituted tetrahydro-1H-pyrido[4,3-B]indoles as serotonin receptors agonists and antagonists BRISTOL MYERS SQUIBB CO (US) 2008-09-17 CN disclosed
CN-1217942-C Pyrrolidine derivatives having phospholipase A inhibitory activity SHIONOGI & CO (JP) 2005-09-07 CN disclosed
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-1412364-A1 PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
WO-2003011872-A1 PLATELET ADP RECEPTOR INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-02-13 WO disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
CN-1251587-A Pyrrolidine derivatives having phospholipase A inhibitory activity SHIONOGI & CO (JP) 2000-04-26 CN disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 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 (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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 TSHR 3642/4885LMNA 3101/4885TDP1 3460/4885
US-20210395251-A1 NAPHTHYRIDINONE COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, JAK3 TSHR 2306/4885LMNA 2529/4885TDP1 2069/4885

“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.