SCHEMBL4537274

SCHEMBL4537274

CC(=O)c1cccc2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAOA P21397 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.42
PLAU P00749 1/20 0.42
MAOB P27338 1/20 0.42
MTNR1A P48039 1/20 0.42
TSHR P16473 1/20 0.41
CYP2A6 P11509 1/20 0.41
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL29792669 0.84 NR4A1 (0.60) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL1668812 0.84 NR4A1 (0.60) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL6913891 0.82 NR4A1 (0.58) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL6916021 0.82 NR4A1 (0.58) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL6916016 0.82 NR4A1 (0.58) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL6914788 0.82 NR4A1 (0.58) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL6914847 0.82 NR4A1 (0.58) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL6916066 0.82 NR4A1 (0.58) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL20719283 0.82 CYP2A6 (0.41) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL9253924 0.82 MEN1 (0.45) MEN1KMT2ARXFP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8017642-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-09-13 US disclosed
US-8017642-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-09-13 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4391816-A ANTIDIABETIC AGENTS AYERST, MCKENNA & HARRISON INC. (CA) 1983-07-05 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 (6 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MEN1 2556/4885KMT2A 3850/4885RXFP1 65/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MEN1 2333/4885KMT2A 4001/4885RXFP1 47/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MEN1 2556/4885KMT2A 3850/4885RXFP1 65/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MEN1 2333/4885KMT2A 4001/4885RXFP1 47/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MEN1 2604/4885KMT2A 4033/4885RXFP1 66/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MEN1 2604/4885KMT2A 4033/4885RXFP1 66/4885

“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.