SCHEMBL3610098

SCHEMBL3610098

CC(C)(C)OC(=O)n1ncc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.43
CREBBP Q92793 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
EEF2K O00418 1/20 0.41
MAP4K4 O95819 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41
PRKG2 Q13237 1/20 0.41
PKN2 Q16513 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41
SLK Q9H2G2 1/20 0.41
CLK4 Q9HAZ1 1/20 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
SCHEMBL30516913 1.00 MAPT (0.45) MAPTALDH1A1LMNANPC1CREBBP
SCHEMBL3368910 0.90 ROCK2 (0.47) MAPTALDH1A1LMNANPC1CREBBP
Methane SCHEMBL27631694 0.86 NPC1 (0.50) MAPTALDH1A1LMNANPC1CREBBP
SCHEMBL15069765 0.81 CREBBP (0.60) MAPTALDH1A1LMNANPC1CREBBP
SCHEMBL15533551 0.80 HTR2A (0.45) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL28645305 0.80 ROCK2 (0.41) MAPTALDH1A1LMNACREBBPROCK2
SCHEMBL30833789 0.80 CREBBP (0.45) MAPTALDH1A1LMNANPC1CREBBP
SCHEMBL9796 0.79 KMO (0.46) NPC1ROCK2ROCK1EEF2KMAP4K4
SCHEMBL1032516 0.79 TAOK1 (0.50) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL29507001 0.79 KMO (0.46) NPC1ROCK2ROCK1EEF2KMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143402-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 珂阑(上海)医药科技有限公司 2023-08-03 WO disclosed
CN-116514891-A Steroid compound, preparation method and application thereof 珂阑(上海)医药科技有限公司 2023-08-01 CN disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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 (3 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 4701/4885ALDH1A1 985/4885LMNA 2021/4885
US-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPT 4730/4885ALDH1A1 323/4885LMNA 1410/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPT 4730/4885ALDH1A1 323/4885LMNA 1410/4885

“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.