SCHEMBL5546669

SCHEMBL5546669

[CH2]CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA14 Q9ULX7 2/20 0.37
CTSK P43235 3/20 0.35
PDK2 Q15119 1/20 0.34
GBA1 P04062 1/20 0.33
METAP2 P50579 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL1109858 0.93 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL3414844 0.88 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL10260946 0.83 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL7244461 0.82 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL3161490 0.82 CA12 (0.39) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL1094425 0.82 TDP1 (0.42) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL4907545 0.81 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL3161597 0.81 CA14 (0.41) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL22915804 0.81 CA14 (0.41) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL21871214 0.81 HDAC6 (0.41) HDAC6HDAC1HDAC2CA14CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585435-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS Bayer Intellectual Property GmbH (DE) 2013-05-01 EP disclosed
WO-2011161101-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-29 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-6143932-A FOR EFFECTING ANALGESIA, A DECREASE IN THE POSTPRANDIAL RISE IN THE BLOOD GLUCOSE LEVELS OF A MAMMAL AFTER INGESTION OF A CARBOHYDRATE LOAD BY SAID MAMMAL, AND TREATING MICROBIAL INFECTIONS TREGA BIOSCIENCES, INC. (US) 2000-11-07 US disclosed
US-6121489-A Selectively N-alkylated peptidomimetic combinatorial libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 2000-09-19 US disclosed
EP-0890101-A4 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INST (US) 1999-12-08 EP disclosed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP disclosed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HDAC6 941/4885HDAC1 322/4885HDAC2 502/4885

“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.