SCHEMBL3519263

SCHEMBL3519263

O=[N+]([O-])c1cc2c(cc1Br)CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 4/20 0.57
PKM P14618 1/20 0.46
MAPK1 P28482 2/20 0.45
TYMS P04818 1/20 0.42
ALDH3A1 P30838 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL30997742 0.92 ALDH1A1 (0.61) MAPTALDH1A1PKMMAPK1TYMS
SCHEMBL22028064 0.92 ALDH1A1 (0.61) MAPTALDH1A1PKMMAPK1TYMS
SCHEMBL25276892 0.83 MAPT (0.49) MAPTALDH1A1PKMMAPK1TYMS
SCHEMBL34474086 0.82 MAPT (0.51) MAPTALDH1A1PKMMAPK1TYMS
SCHEMBL9452619 0.81 MAPT (0.41) MAPTALDH1A1MAPK1ALDH3A1CYP3A4
SCHEMBL31335752 0.79 MAPT (0.60) MAPTALDH1A1PKMTYMS
SCHEMBL29557821 0.79 MAPT (0.60) MAPTALDH1A1PKMTYMS
SCHEMBL417912 0.79 MAPT (0.60) MAPTALDH1A1PKMTYMS
SCHEMBL22835901 0.78 MAPT (0.72) MAPTALDH1A1PKMMAPK1TYMS
SCHEMBL31110031 0.78 MAPT (0.82) MAPTALDH1A1PKMMAPK1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO disclosed
EP-0016978-B1 PROCESS FOR PREPARING NITRILES SCHERING AKTIENGESELLSCHAFT (DE) 1987-05-13 EP disclosed
EP-0056956-B1 INDANYL DERIVATIVES THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-27 EP disclosed
EP-0009554-B1 INDANYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-04-27 EP disclosed
US-4375479-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1983-03-01 US disclosed
EP-0056956-A2 Indanyl derivatives their preparation and their use SCHERING AKTIENGESELLSCHAFT (DE) 1982-08-04 EP disclosed
US-4244960-A HERBICIDES OR ANTIINFLAMMATORY AGENTS SCHERING, AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed
EP-0016978-A1 Process for preparing nitriles SCHERING AKTIENGESELLSCHAFT (DE) 1980-10-15 EP disclosed
EP-0009554-A1 Indanyl derivatives, process for their preparation and pharmaceutical compositions containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1980-04-16 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 MAPT 4281/4885ALDH1A1 99/4885PKM 1104/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR MAPT 134/4885ALDH1A1 515/4885PKM 1294/4885

“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.