SCHEMBL12835616

SCHEMBL12835616

O=[N+]([O-])c1c(Br)cncc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ CRHBP P24387 1/20 0.31

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
SCHEMBL29071382 0.85 GPR35 (0.37) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31553016 0.85 MAPT (0.36) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29301459 0.85 ALDH1A1 (0.42) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17555458 0.85 ALDH1A1 (0.36) MAPTAAK1ALDH1A1TDP1CYP3A4
SCHEMBL30997911 0.75 MEN1 (0.40) MAPTAAK1ALDH1A1TSHRCYP3A4
SCHEMBL6759012 0.72 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9452627 0.72 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CYP3A4PMM2
SCHEMBL1958391 0.72 ALDH1A1 (0.53) MAPTAAK1ALDH1A1TSHRTDP1
SCHEMBL20517236 0.72 MEN1 (0.38) MAPTAAK1ALDH1A1CYP3A4MEN1
SCHEMBL20594965 0.72 ALDH1A1 (0.38) MAPTAAK1ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410119-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
US-8410119-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
EP-2292620-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prohylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-03-09 — — EP disclosed
EP-2287166-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-02-23 — — EP disclosed
EP-2287165-A2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2011-02-23 — — EP disclosed
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-7625906-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-12-01 — — US disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 — — US disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 — — US disclosed
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-03-29 — — US disclosed
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-03-29 — — US 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 (3 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-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 MAPT 4217/4885GRIN2D 3368/4885GRIN3B 3380/4885
US-20100093761-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, CYP4F3 MAPT 4217/4885GRIN2D 3368/4885GRIN3B 3380/4885
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 MAPT 4217/4885GRIN2D 3368/4885GRIN3B 3380/4885

“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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