SCHEMBL3099042

SCHEMBL3099042

O=C1N=CCc2ccccc21.[KH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAOA P21397 3/20 0.40
CES1 P23141 2/20 0.40
TDP2 O95551 2/20 0.38
PDPK1 O15530 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MAP3K14 Q99558 1/20 0.38
MAOB P27338 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL29824315 0.98 CA12 (0.42) CA12CA9MAOACES1TDP2
SCHEMBL57213 0.98 CA12 (0.42) CA12CA9MAOACES1TDP2
Hydrochloric Acid SCHEMBL2455497 0.96 CA12 (0.41) CA12CA9MAOACES1TDP2
Hydrochloric Acid SCHEMBL7005883 0.96 CA12 (0.41) CA12CA9MAOACES1TDP2
Acetamide SCHEMBL1668160 0.86 ALDH1A1 (0.38) CA12CA9MAOACES1KMT2A
SCHEMBL207528 0.78 CES1 (0.48) CA12CA9MAOACES1TDP2
SCHEMBL4771824 0.72 MAOA (0.34) MAOACES1MAOBBCHETSHR
SCHEMBL7614336 0.72 MAOA (0.33) CA12CA9MAOACES1MAOB
SCHEMBL7825908 0.72 MAOA (0.38) CA12CA9MAOACES1TDP2
SCHEMBL1550523 0.71 MAOA (0.44) CA9MAOAMAOB

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
EP-3640241-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-09-28 EP disclosed
EP-1667978-B1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
US-7723352-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2010-05-25 US disclosed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
EP-1896416-B1 SUBSTITUTED HETEROCYCLES, THEIR USE AS MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI AVENTIS (FR) 2008-10-15 EP disclosed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US disclosed
US-20060270704-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-11-30 US disclosed
CN-1856473-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
CN-1856476-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
CN-1856476-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
CN-1856473-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
CN-1856474-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
CN-1856472-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
CN-1856472-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
US-6870055-B2 Isoquinolinone potassium channels inhibitors MERCK & CO., INC. (US) 2005-03-22 US disclosed
US-20040044030-A1 Isoquinolinone potassium channels inhibitors MERCK SHARP & DOHME CORP. 2004-03-04 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-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 CA12 4718/4885CA9 4363/4885MAOA 3281/4885
US-20040044030-A1 Isoquinolinone potassium channels inhibitors KCNQ5, KCNQ1, KCNQ2 CA12 4340/4885CA9 2260/4885MAOA 3661/4885
US-20060270704-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 CA12 4652/4885CA9 4016/4885MAOA 3016/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 CA12 4689/4885CA9 4336/4885MAOA 3579/4885

“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.