SCHEMBL8545981

SCHEMBL8545981

CC(C)(C)[Si](C)(C)OCCc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNJ1 P48048 2/20 0.40
KCNH2 Q12809 2/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP19A1 P11511 3/20 0.37
KIF11 P52732 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
EPHX2 P34913 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL20487117 0.84 DUT (0.34)
SCHEMBL19972648 0.84 DUT (0.34)
SCHEMBL8812553 0.83 CYP2A6 (0.46) CYP2A6LOXL2MAOAMAOBCYP19A1
SCHEMBL19972665 0.81 RORC (0.34) CYP19A1
SCHEMBL16808190 0.81 CYP2A6 (0.38) CYP2A6LOXL2MAOBCYP19A1ALOX5
SCHEMBL23754946 0.81 ALDH1A1 (0.50) PPARDPPARAHSD17B10MAOBHRH3
SCHEMBL2696466 0.80 CYP1A2 (0.41) CYP2A6PPARDPPARAKCNH2MAOA
SCHEMBL18255824 0.78 KIF11 (0.34) CYP2A6LOXL2CYP19A1KIF11CYP11B2
SCHEMBL1245973 0.78 ELOVL1 (0.41) KCNH2MAOB
SCHEMBL21178368 0.78 DUT (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-09-29 US disclosed
EP-3962914-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
CN-113767101-A Novel indole-2-carboxamides having anti-Hepatitis B Virus (HBV) activity 艾库里斯有限及两合公司 2021-12-07 CN disclosed
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
US-5602132-A USEFUL IN TREATMENT OF PATHOLOGIES INVOLVING CORTICOTROPIN RELEASING FACTOR SANOFI (FR) 1997-02-11 US disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP 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-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) HCCS, IDO1, BRD4 CYP2A6 2608/4885PPARD 2912/4885PPARA 2801/4885

“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.