SCHEMBL76589

SCHEMBL76589

Nc1ccc(N2CCCCC2=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
GFER P55789 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 2/20 0.43
PARP1 P09874 5/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 2/20 0.40
ALOX15 P16050 1/20 0.40
YWHAG P61981 1/20 0.40
F10 P00742 2/20 0.39
NR4A1 P22736 1/20 0.39
PTK2B Q14289 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL85665 0.98 ALDH1A1 (0.44) ALDH1A1MAPTGFERMAPK1LMNA
SCHEMBL77294 0.95 HSD17B10 (0.47) ALDH1A1MAPTGFERMAPK1LMNA
SCHEMBL29349011 0.83 HSD17B10 (0.42) ALDH1A1HSD17B10PARP1KDM4EGAA
SCHEMBL16190037 0.83 PARP1 (0.42) ALDH1A1HSD17B10PARP1KDM4EGAA
SCHEMBL8305775 0.83 HSD17B10 (0.45) ALDH1A1HSD17B10PARP1KMT2AMEN1
SCHEMBL1937361 0.82 PARP1 (0.51) ALDH1A1MAPK1HSD17B10PARP1KDM4E
SCHEMBL6329653 0.81 PARP1 (0.43) ALDH1A1HSD17B10PARP1KDM4EGAA
SCHEMBL12848677 0.81 HSD17B10 (0.44) ALDH1A1MAPTHSD17B10PARP1KMT2A
SCHEMBL76351 0.81 KMT2A (0.58) ALDH1A1MAPTGFERMAPK1LMNA
SCHEMBL22816934 0.81 ALDH1A1 (0.60) ALDH1A1MAPTGFERMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026392-B 4,5-dihydro-pyrazolo [3, 4-c] pyrid-2-ones, preparation method and application thereof 四川海思科制药有限公司 2017-05-10 CN disclosed
CN-104395312-B The Spirocyclic derivatives of 4,5-dihydro-pyrazolo [3,4-c] pyridin-2-ones, its preparation method and application SICHUAN HAISCO PHARMACEUTICAL CO.,LTD. (CN) 2016-04-27 CN disclosed
WO-2014202027-A1 SPIROCYCLIC DERIVATIVE OF 4,5-DIHYDROPYRAZOLO[3,4-C]PYRIDINE-2-ONE, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 (CN) 2014-12-24 WO disclosed
WO-2014169845-A2 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2014-10-23 WO disclosed
WO-2014169845-A2 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2014-10-23 WO disclosed
CN-104109165-A 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives, and preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-10-22 CN disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 WO disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (1 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 ALDH1A1 739/4885MAPT 4547/4885GFER 2942/4885

“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.