SCHEMBL198067

SCHEMBL198067

CC(C)c1ncc(C(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
HCAR3 P49019 9/20 0.47
P4HA1 P13674 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
HCAR2 Q8TDS4 3/20 0.44
MIF P14174 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42

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
SCHEMBL8528960 0.84 HCAR3 (0.36) ALDH1A1HSD17B10KDM4EALOX15HCAR3
SCHEMBL13119220 0.82 KCNJ1 (0.36) ALDH1A1HSD17B10KDM4EALOX15HCAR3
SCHEMBL30445356 0.81 BAZ2B (0.45) HPGD
SCHEMBL24065698 0.80 HCAR3 (0.34) ALDH1A1HSD17B10KDM4EALOX15HCAR3
SCHEMBL14865432 0.80 NNMT (0.45) KDM4E
SCHEMBL1435924 0.80 NAPRT (0.36) ALDH1A1HSD17B10KDM4EALOX15HCAR3
SCHEMBL24806681 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15HCAR3
SCHEMBL1435071 0.77 MAPK1 (0.52) ALDH1A1KDM4EMAPTPOLBXDH
SCHEMBL22387737 0.77 HDAC6 (0.57)
SCHEMBL26421531 0.77 PDE9A (0.41) ALDH1A1HSD17B10KDM4EALOX15HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2025-04-24 US disclosed
EP-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 EP disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO disclosed
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 US disclosed
WO-2019234115-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2019-12-12 WO disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (8 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 1842/4885HSD17B10 2499/4885KDM4E 3956/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ALDH1A1 1000/4885HSD17B10 2126/4885KDM4E 4133/4885
US-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ALDH1A1 1828/4885HSD17B10 2786/4885KDM4E 1340/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 ALDH1A1 3037/4885HSD17B10 2002/4885KDM4E 4542/4885
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 ALDH1A1 882/4885HSD17B10 244/4885KDM4E 3975/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ALDH1A1 1000/4885HSD17B10 2126/4885KDM4E 4133/4885
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 ALDH1A1 400/4885HSD17B10 79/4885KDM4E 1619/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ALDH1A1 1828/4885HSD17B10 2786/4885KDM4E 1340/4885

“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.