SCHEMBL140689

SCHEMBL140689

C[CH]c1ccc(CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ IGF1R P08069 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ LPL P06858 1/20 0.42
▸ LIPG Q9Y5X9 1/20 0.42
▸ PLK1 P53350 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5252325 0.80 TP53 (0.48) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL6546261 0.80 ALOX5 (0.63) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL9026432 0.80 ALOX5 (0.63) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL16853122 0.80 ALOX5 (0.63) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL9026437 0.80 ALOX5 (0.63) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL11437002 0.79 ALOX5 (0.52) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL1610537 0.79 LPL (0.46) ALDH1A1MAPTLPLLIPGPLK1
SCHEMBL10413953 0.79 ALOX5 (0.52) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL9494248 0.79 ALOX5 (0.52) TP53ALOX5PTGS1PTGS2TAAR1
SCHEMBL2187090 0.78 ALDH1A1 (0.38) TP53ALDH1A1SMN1; SMN2LMNACYP2A6

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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459215-A 3- (4-aminophenyl) -2-furancarboxylic acid derivatives and pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO 2012-05-16 — — CN claimed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 — — EP claimed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 — — US claimed
US-7858641-B2 melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 — — US claimed
US-7858631-B2 Substituted pyrido [2,3-d] pyrimidinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 — — US claimed
EP-1551834-B1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-25 — — EP claimed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 — — US claimed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 — — WO claimed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 — — US claimed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP claimed
EP-1551834-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2005-07-13 — — EP claimed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 — — WO claimed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 — — US claimed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 — — US claimed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 — — WO claimed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 — — EP claimed
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 — — US claimed
WO-2003099818-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2003-12-04 — — WO claimed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 — — US claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TP53 2770/4885ALOX5 2385/4885PTGS1 510/4885
US-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 TP53 4044/4885ALOX5 861/4885PTGS1 327/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TP53 3891/4885ALOX5 2040/4885PTGS1 310/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 TP53 3812/4885ALOX5 542/4885PTGS1 3609/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R TP53 3114/4885ALOX5 2046/4885PTGS1 988/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 TP53 4044/4885ALOX5 861/4885PTGS1 327/4885

“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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