SCHEMBL238244

SCHEMBL238244

CCOC(=O)C(C#N)=C(C)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
TSHR P16473 1/20 0.53
CYP2C9 P11712 1/20 0.46
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GLO1 Q04760 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL238243 1.00 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL238242 1.00 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL4959625 0.88 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL4959620 0.88 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL8783520 0.88 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL4714435 0.88 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL17139814 0.88 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL4714434 0.88 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL1754710 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL2115865 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4147700-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES FOR USE IN THE TREATMENT OF SICKLE CELL DISEASE LQT Therapeutics Inc. (CA) 2023-03-15 EP disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
EP-3116868-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
EP-2970266-B1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-01-31 EP disclosed
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-9718816-B2 1-phenoxy-3-(alkylamino)-propan-2-ol derivatives as CARM1 inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-01 US disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 US disclosed
US-4945165-A Insecticide, miticide, nematicide BAYER AKTIENGESELLSCHAFT (DE) 1990-07-31 US disclosed
EP-0372654-A2 Preparation of 2-chloropyridine 3-carboxylic acid esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-13 EP disclosed
US-4804675-A 1-aryl-4-alkylthiopyrazol-5-amine derivatives, composition containing them, and method of using them to combat insects, arachnids, and nematodes BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
EP-0201852-A2 Agent against noxious plants based on pyrazol derivatives BAYER AG (DE) 1986-11-20 EP disclosed
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP disclosed
US-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed
US-4118571-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4086233-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-04-25 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 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 (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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 ALDH1A1 467/4885TSHR 3792/4885CYP2C9 741/4885
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, TIAM1 ALDH1A1 1277/4885TSHR 3333/4885CYP2C9 914/4885

“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.