SCHEMBL20338922

SCHEMBL20338922

COc1ccc(CNC(=O)c2ccc(Nc3nccc4ccc(Cl)cc34)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
STAMBP O95630 1/20 0.47
COPS5 Q92905 1/20 0.47
HPGDS O60760 1/20 0.46
VNN1 O95497 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
ROCK2 O75116 1/20 0.45
KLKB1 P03952 2/20 0.45
KLK1 P06870 2/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29786993 1.00 KDM1A (0.48) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL20338712 0.91 ROCK1 (0.52) HPGDSROCK2KLKB1KLK1RAB9A
SCHEMBL29786948 0.91 ROCK1 (0.52) HPGDSROCK2KLKB1KLK1RAB9A
SCHEMBL20338686 0.90 BCHE (0.48) HDAC1ALDH1A1SMN1; SMN2GAABCHE
SCHEMBL29786957 0.90 BCHE (0.48) HDAC1ALDH1A1SMN1; SMN2GAABCHE
SCHEMBL20338685 0.88 L3MBTL1 (0.56) COPS5HPGDSTRPV4ALDH1A1RAB9A
SCHEMBL29786917 0.88 L3MBTL1 (0.56) COPS5HPGDSTRPV4ALDH1A1RAB9A
SCHEMBL20338694 0.83 ALDH1A1 (0.48) HDAC1HDAC6MEN1KMT2AALDH1A1
SCHEMBL29786940 0.83 ALDH1A1 (0.48) HDAC1HDAC6MEN1KMT2AALDH1A1
SCHEMBL20338693 0.82 TRPV4 (0.42) HDAC1HDAC6MEN1KMT2ATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494432-B Isoquinoline compounds, methods of preparation thereof and therapeutic use thereof in disorders associated with altered beta-galactosidase activity 米尼奥尔克斯治疗有限公司 2022-08-12 CN claimed
EP-3562821-B9 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2021-05-26 EP claimed
EP-3562821-B1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2020-12-02 EP claimed
US-11440898-B2 Isoquinoline compounds, methods for their preparation, and therapeutic uses thereof in conditions associated with the alteration of the activity of beta galactosidase MINORYX THERAPEUTICS S.L. (ES) 2022-09-13 US disclosed
CN-110494432-B Isoquinoline compounds, methods of preparation thereof and therapeutic use thereof in disorders associated with altered beta-galactosidase activity 米尼奥尔克斯治疗有限公司 2022-08-12 CN disclosed
EP-3562821-B9 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2021-05-26 EP disclosed
EP-3562821-B1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2020-12-02 EP disclosed
US-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S.L. (ES) 2020-03-05 US disclosed
US-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S.L. (ES) 2020-03-05 US disclosed
EP-3562821-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE Minoryx Therapeutics S.L. (ES) 2019-11-06 EP disclosed
WO-2018122746-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 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 (2 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-11440898-B2 Isoquinoline compounds, methods for their preparation, and therapeutic uses thereof in conditions associated with the alteration of the activity of beta galactosidase GLB1, GBA1, GALC KDM1A 1709/4885HDAC1 110/4885HDAC2 99/4885
US-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE GLB1, GBA1, GALC KDM1A 1709/4885HDAC1 110/4885HDAC2 99/4885

“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.