SCHEMBL4637516

SCHEMBL4637516

O=C1CCCc2c1ccc(F)c2F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
CYP2A6 P11509 1/20 0.39
PRKCI P41743 1/20 0.39
NOTUM Q6P988 1/20 0.39
PARP1 P09874 1/20 0.37
P2RX7 Q99572 1/20 0.35
HSD17B1 P14061 2/20 0.35
MAPK14 Q16539 2/20 0.34
BRD4 O60885 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GRM5 P41594 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL29673201 1.00 MAOA (0.39) MAOAMAOBCYP2A6PRKCINOTUM
SCHEMBL30666511 0.88 NOTUM (0.44) NOTUMHSD17B1MAPK14HSD17B10KDM4E
SCHEMBL1339423 0.88 NOTUM (0.44) NOTUMHSD17B1MAPK14HSD17B10KDM4E
SCHEMBL14053140 0.82 MAOA (0.38) MAOAMAOBCYP2A6PRKCIHSD17B1
SCHEMBL22253606 0.81 MAOA (0.41) MAOAMAOBCYP2A6PRKCIPARP1
SCHEMBL4637638 0.81 MAOA (0.37) MAOAMAOBCYP2A6PRKCIPARP1
SCHEMBL6121207 0.81 KDM4E (0.41) MAOAMAOBCYP2A6PRKCIPARP1
SCHEMBL24542979 0.81 NOTUM (0.41) MAOAMAOBCYP2A6PRKCINOTUM
SCHEMBL30070449 0.81 MAOA (0.37) MAOAMAOBCYP2A6PRKCIPARP1
SCHEMBL29673139 0.81 NOTUM (0.41) MAOAMAOBCYP2A6PRKCINOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed
WO-2022127827-A1 KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-23 WO disclosed
EP-2714675-B1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2019-01-02 EP disclosed
EP-2714675-B1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2019-01-02 EP disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-11-29 US disclosed
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-11-29 US disclosed
US-20120301514-A1 DEVELOPMENT OF BIOACTIVE ELECTROSPUN COATINGS FOR BIOMEDICAL APPLICATIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2012-11-29 US disclosed
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-11-29 US disclosed
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
EP-1951712-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-08-06 EP disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 WO disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 WO 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-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE MAOA 1891/4885MAOB 1721/4885CYP2A6 332/4885
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE MAOA 1891/4885MAOB 1721/4885CYP2A6 332/4885
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors TFPI, TPSAB1, TFPI2 MAOA 208/4885MAOB 182/4885CYP2A6 195/4885

“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.