SCHEMBL6442924

SCHEMBL6442924

O=C(O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 7/20 0.77
PSMB5 P28074 7/20 0.77
PSMB2 P49721 5/20 0.77
LTA4H P09960 3/20 0.76
KDM4E B2RXH2 5/20 0.68
HTT P42858 1/20 0.63
HRH4 Q9H3N8 1/20 0.62
HRH3 Q9Y5N1 1/20 0.61
ALDH1A1 P00352 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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 SCHEMBL227699 0.98 PSMB1 (0.75) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2741667 0.98 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL1027972 0.98 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL228100 0.97 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL228398 0.97 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7139772 0.95 PSMB1 (0.71) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7132076 0.95 PSMB1 (0.71) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2344523 0.94 PSMB1 (0.74) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL7626127 0.93 PSMB1 (0.72) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2087691 0.92 KDM4E (0.72) PSMB1PSMB5PSMB2LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047297-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-02-18 US disclosed
EP-3774769-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2021-02-17 EP disclosed
WO-2019185525-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 WO disclosed
WO-2019185525-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 WO disclosed
WO-2017001853-A1 ANTIVIRAL COMPOUNDS REDX PHARMA PLC (GB) 2017-01-05 WO disclosed
EP-2526116-B1 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN ST GEORGES HOSP MEDICAL SCHOOL (GB) 2015-05-13 EP disclosed
US-8637453-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2014-01-28 US disclosed
US-8637453-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2014-01-28 US disclosed
US-8541363-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use St George's Hosptial Medical School (GB) 2013-09-24 US disclosed
US-8541363-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use St George's Hosptial Medical School (GB) 2013-09-24 US disclosed
US-4400543-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1983-08-23 US disclosed
US-4394313-A Symmetrical azetidinone aldehyde disulfides and process ELI LILLY AND COMPANY (US) 1983-07-19 US disclosed
US-4380635-A Synthesis of acylated benzothiophenes ELI LILLY AND COMPANY (US) 1983-04-19 US disclosed
US-4358593-A BY ACYLATION OF PROTECTED 6-HYDROXY,2-(4-HYDROXYPHENYL) BENZO (B)THIOPHENE USING A FRIEDEL CRAFTS CATALYSTS; HYDROLYSIS ELI LILLY AND COMPANY (US) 1982-11-09 US disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
EP-0062505-A1 A process for preparing acylated benzothiophenes ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
US-4323707-A USEFUL FOR AMIMALS, AROYL-PHENYL-NAPHTHALENES OR DIHYDRONAPHTHALENES ELI LILLY AND COMPANY (US) 1982-04-06 US disclosed
US-4293495-A Symmetrical azetidinone aldehyde disulfides and process ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4230862-A 3-PHENYL-4-AROYL-1,2-DIHYDRONAPHTHALENES AND 1-ARYOYL-2-PHENYLNAPHTHALENES ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 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 (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-20210047297-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS PKD1, CDKN1A, VHL PSMB1 2640/4885PSMB5 1495/4885PSMB2 2966/4885

“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.