SCHEMBL2958211

SCHEMBL2958211

COc1cc(CN(C=O)Nc2cccc(-c3nn(C)cc3Br)c2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
FYN P06241 3/20 0.34
CLK1 P49759 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRAF P15056 2/20 0.34
HDAC8 Q9BY41 2/20 0.33
THRB P10828 2/20 0.33
PAX8 Q06710 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
CHEK1 O14757 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32
TYRO3 Q06418 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2961042 0.91 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2THRBMAPT
SCHEMBL2950487 0.87 L3MBTL1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2959801 0.86 L3MBTL1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2BRAFMAPT
SCHEMBL2958214 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2HDAC8MAPT
SCHEMBL6199455 0.82 HTR2A (0.43) CLK1SMN1; SMN2BRAFHTT
SCHEMBL6586587 0.82 BRAF (0.35) FYNCLK1SMN1; SMN2BRAFTHRB
SCHEMBL2958818 0.80 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6490012 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6490218 0.77 L3MBTL1 (0.54) L3MBTL1ALDH1A1FYNCLK1SMN1; SMN2
SCHEMBL2958814 0.75 L3MBTL1 (0.39) L3MBTL1ALDH1A1THRBMAPTCHEK1

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-7754866-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS INC. 2009-03-19 US disclosed
US-7368539-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-06-02 US disclosed
US-6846919-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof BEHAN DOMINIC P (US) 2003-12-04 US disclosed
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6541209-B1 Bioassay; identification of compounds as agonists; use in treatment of diseases and disorders that are related to 5-HT2A and or 5-HT2C serotonin receptors ARENA PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-6420541-B1 MEMBRANE PROTEIN FOR USE IN TREATING PSYCHOLOGICAL, NERVOUS SYSTEM, EATING AND SEXUAL DISORDERS ARENA PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-6150393-A N-(3-(4-BROMO-1-METHYLPYRAZOL-3-YL)PHENYL)(PHENYLMETHYLAMINO) -CARBOXAMIDE MODIFIER OF ACTIVITY OF THE SEROTONIN 5-HT 2A; CNS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ARENA PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-6107324-A CONTROLLING SEROTONIN ARENA PHARMACEUTICALS INC. (US) 2000-08-22 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 (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-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885FYN 4307/4885
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR6 L3MBTL1 4246/4885ALDH1A1 3459/4885FYN 4373/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A L3MBTL1 2801/4885ALDH1A1 3419/4885FYN 4794/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885FYN 4307/4885

“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.