SCHEMBL13015648

SCHEMBL13015648

CC(C)(C)C(=O)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.65
▸ HDAC3 O15379 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ P2RX1 P51575 1/20 0.54
▸ KCNJ6 P48051 1/20 0.54
▸ KCNJ5 P48544 1/20 0.54
▸ KCNJ3 P48549 1/20 0.54
▸ KCNK9 Q9NPC2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ LCK P06239 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ PTPRC P08575 1/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ PTPN13 Q12923 1/20 0.50

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
SCHEMBL16722802 0.87 NPSR1 (0.76) NPSR1L3MBTL1KDM4EALDH1A1LCK
SCHEMBL4455493 0.86 TP53 (0.65) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL30977683 0.86 TP53 (0.65) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL13154802 0.86 L3MBTL1 (0.66) HDAC3HDAC8HDAC6L3MBTL1P2RX1
SCHEMBL32675964 0.85 RAF1 (0.65) HDAC3HDAC8HDAC6KDM4EP2RX1
SCHEMBL30695893 0.84 HDAC8 (0.62) HDAC3HDAC8HDAC6P2RX1KCNJ6
SCHEMBL2093458 0.84 HDAC8 (0.62) HDAC3HDAC8HDAC6P2RX1KCNJ6
SCHEMBL1689404 0.84 HDAC3 (0.62) HDAC3HDAC8HDAC6L3MBTL1P2RX1
SCHEMBL2093456 0.84 HDAC8 (0.62) HDAC3HDAC8HDAC6P2RX1KCNJ6
SCHEMBL903574 0.82 HDAC8 (0.60) HDAC3HDAC8HDAC6P2RX1KCNJ6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 — — CN disclosed
CN-113912529-A Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium 成都大学 2022-01-11 — — CN disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 — — US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 — — US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 — — US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 — — US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — 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 (5 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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD NPSR1 1084/4885HDAC3 314/4885HDAC8 861/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL NPSR1 3367/4885HDAC3 1452/4885HDAC8 2305/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR NPSR1 2176/4885HDAC3 1368/4885HDAC8 2916/4885
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NPSR1 40/4885HDAC3 921/4885HDAC8 2453/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 NPSR1 436/4885HDAC3 85/4885HDAC8 921/4885

“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.

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