SCHEMBL3608256

SCHEMBL3608256

C[Si](C)(C)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
BRD4 O60885 1/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
FLT3 P36888 1/20 0.44
CYP2A6 P11509 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.42
DAO P14920 2/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DDO Q99489 1/20 0.42
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CASP3 P42574 2/20 0.41

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
SCHEMBL30559751 1.00 AOC3 (0.48) AOC3BRD4RAB9ANPC1LOXL2
SCHEMBL30559750 1.00 AOC3 (0.48) AOC3BRD4RAB9ANPC1LOXL2
SCHEMBL15791226 0.83 AOC3 (0.45) AOC3BRD4RAB9ANPC1LOXL2
SCHEMBL17546182 0.80 KDM4E (0.46) AOC3BRD4RAB9ANPC1LOXL2
SCHEMBL7019205 0.79 AOC3 (0.45) AOC3BRD4RAB9ANPC1LOXL2
SCHEMBL19557306 0.78 ALDH1A1 (0.47) AOC3BRD4RAB9ANPC1LOXL2
2-Methylindole SCHEMBL12420 0.70 BRD4 (0.57) AOC3BRD4RAB9ANPC1LOXL2
2-Methylindole SCHEMBL29377448 0.70 BRD4 (0.57) AOC3BRD4RAB9ANPC1LOXL2
SCHEMBL1854303 0.69 CYP2A6 (0.58) AOC3BRD4RAB9ANPC1LOXL2
SCHEMBL10479143 0.69 AOC3 (0.44) AOC3BRD4RAB9ANPC1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417859-B Synthesis method of rizatriptan benzoate 陕西师范大学 2024-02-02 CN disclosed
CN-115417859-A Synthetic method of rizatriptan benzoate 陕西师范大学 2022-12-02 CN disclosed
US-8076365-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-13 US disclosed
US-20100168098-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-01 US disclosed
EP-1915378-A4 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-07-22 EP disclosed
US-20080167476-A1 Process for the preparation of 2-substituted-7-Boryl indoles and compounds BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-07-10 US disclosed
EP-1915378-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-04-30 EP disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 US disclosed
WO-2007019674-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 WO disclosed
US-6858577-B1 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
US-20030224999-A1 Novel indole peptidomimetics as thrombin receptor antagonists ZHANG HAN-CHENG (US) 2003-12-04 US disclosed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists ORTHO-MCNEIL PHARMACEUTICAL CORPORATION 2002-08-01 US disclosed
WO-2001000657-A2 NOVEL INDOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 WO disclosed
EP-0925302-A1 PALLADIUM CATALYZED INDOLIZATION Merck & Co., Inc. (US) 1999-06-30 EP disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO 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 (4 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-20100168098-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, POLR2E AOC3 2706/4885BRD4 142/4885RAB9A 129/4885
US-20080167476-A1 Process for the preparation of 2-substituted-7-Boryl indoles and compounds INMT, IDO2, IDO1 AOC3 4070/4885BRD4 369/4885RAB9A 2216/4885
US-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists F2RL1, F2R, IDO2 AOC3 3198/4885BRD4 584/4885RAB9A 3270/4885
US-20030224999-A1 Novel indole peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 AOC3 3937/4885BRD4 1177/4885RAB9A 3640/4885

“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.