SCHEMBL313281

SCHEMBL313281

COc1ccc(C(=O)O)c(N)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
CLCN2 P51788 2/20 0.49
CDC25B P30305 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
TPMT P51580 1/20 0.42
MYC P01106 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL23925274 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MAPTCLCN2CDC25B
SCHEMBL312482 0.86 ALDH1A1 (0.46) ALDH1A1TDP1MAPTCLCN2KDM4E
SCHEMBL314560 0.84 GAA (0.53) ALDH1A1MAPTCLCN2KDM4EHPGD
SCHEMBL30949565 0.83 TDP1 (0.55) ALDH1A1TDP1MAPTCLCN2CDC25B
SCHEMBL1203086 0.83 ALDH1A1 (0.59) ALDH1A1TDP1MAPTCDC25BKDM4E
SCHEMBL6931814 0.83 TDP1 (0.55) ALDH1A1TDP1MAPTCLCN2CDC25B
SCHEMBL2617466 0.81 ALDH1A1 (0.47) ALDH1A1TDP1MAPTMAPK1KMT2A
SCHEMBL27972201 0.81 HMGCR (0.46) ALDH1A1KDM4ECA9MAPK1KMT2A
SCHEMBL2837874 0.80 ALDH1A1 (0.56) ALDH1A1TDP1MAPTCDC25BKDM4E
SCHEMBL17201318 0.80 MAPT (0.66) ALDH1A1TDP1MAPTCLCN2CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925100-A Substituted thiophenoquinolinone compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-10-24 CN disclosed
EP-3126354-B1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2020-01-22 EP disclosed
CN-109999039-A Quinazoline-THF- the amine of halogenation as PDE1 inhibitor H.隆德贝克有限公司 2019-07-12 CN disclosed
US-20190144434-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-05-16 US disclosed
CN-106132953-B Halogenated quinazolin-THF-amines as PDE1 inhibitors H.隆德贝克有限公司 2019-03-22 CN disclosed
US-10005764-B2 Halogenated quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-06-26 US disclosed
EP-3126354-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2017-02-08 EP disclosed
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-01-26 US disclosed
CN-106132953-A Halogenated quinazolin-THF-amines as PDE1 inhibitors H.隆德贝克有限公司 2016-11-16 CN disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 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 (7 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-20190144434-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS PDE12, PDE3A, PDE7B ALDH1A1 179/4885TDP1 10/4885MAPT 464/4885
US-10005764-B2 Halogenated quinazolin-THF-amines as PDE1 inhibitors PDE12, PDE3A, PDE7B ALDH1A1 179/4885TDP1 10/4885MAPT 464/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885TDP1 3951/4885MAPT 3005/4885
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors PDE12, PDE3A, PDE7B ALDH1A1 179/4885TDP1 10/4885MAPT 464/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885TDP1 3951/4885MAPT 3005/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885TDP1 4094/4885MAPT 3077/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885TDP1 4094/4885MAPT 3077/4885

“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.