SCHEMBL6592452

SCHEMBL6592452

NC1COc2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.59
MAOB P27338 2/20 0.54
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.44

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
Hydrochloric Acid SCHEMBL697520 0.98 CYP19A1 (0.57) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL2381366 0.81 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL20165977 0.81 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL18415628 0.78 CYP19A1 (0.61) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL9835237 0.78 CYP19A1 (0.56) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL768947 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL68086 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL15147097 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL7241604 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL8748082 0.77 CYP19A1 (0.47) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0842927-A1 3-Amido-chromanylsulfonyl(thio)ureas, process for their preparation, their use and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
EP-0161218-A2 Benzo-(pyrano and thiopyrano)pyridines CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed
US-4548943-A INHIBITS PROSTAGLADIN SYNTHETASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-22 US disclosed
US-4548946-A Antiinflammatory and/or analgesic 1,8-Dihydro-(or 3,8-dihydro)-8-aryl-2-[(substituted)thio]-indeno[1,2-d]imidazoles and their corresponding sulfoxides and sulfones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-22 US disclosed
US-4371541-A Antiinflammatory and/or analgesic 3,4-dihydro-(or 1,4-dihydro)-4-aryl-2-((substituted)thio)-(1)-benzopyrano(3,4-d)imidazoles and their corresponding sulfoxides and sulfones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-01 US disclosed
EP-0061712-A1 Antiinflammatory and/or analgesic 1,8-dihydro (or 3,8-dihydro)-8-aryl-2-((substituted)thio)-indeno(1,2-)imidazoles and their corresponding sulfoxides and sulfones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-10-06 EP disclosed
EP-0057932-A1 Antiinflammatory and/or analgesic 3,4-dihydro(or 1,4-dihydro)-2-((substituted)thiol)-(1)-benzopyrano(3,4-d)imidazoles and their corresponding sulfoxides and sulfones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-18 EP disclosed
US-4305954-A Antiinflammatory 3,4-dihydro(or 1,4-dihydro)-2-[(substituted)thio]-[1]benzopyrano[3,4-d]imidazoles and their corresponding sulfoxides and sulfones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-15 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA CYP19A1 474/4885MAOB 3240/4885PKM 4731/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB CYP19A1 404/4885MAOB 3184/4885PKM 4699/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 CYP19A1 269/4885MAOB 3552/4885PKM 4397/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 CYP19A1 302/4885MAOB 3686/4885PKM 4437/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 CYP19A1 269/4885MAOB 3552/4885PKM 4397/4885
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT CYP19A1 1166/4885MAOB 2162/4885PKM 1537/4885

“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.