SCHEMBL4491035

SCHEMBL4491035

O=C(CO)Nc1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.79
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
PKM P14618 3/20 0.66
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
CYP1A2 P05177 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.59

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
SCHEMBL6245092 0.88 GAA (1.00) GAANPC1RAB9APKMHDAC3
SCHEMBL15672954 0.85 GAA (0.73) GAANPC1RAB9APKMHDAC3
SCHEMBL7006640 0.85 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL12426307 0.83 GAA (0.82) GAANPC1RAB9APKMHDAC3
SCHEMBL8285860 0.83 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL1185012 0.83 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL1430541 0.83 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL318557 0.83 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL22281652 0.83 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL30071250 0.83 GAA (0.76) GAANPC1RAB9APKMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736567-A Room temperature self-repairing elastic conductor and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-03-22 CN claimed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US claimed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US claimed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP claimed
CN-117736567-A Room temperature self-repairing elastic conductor and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-03-22 CN disclosed
CN-107708738-A Depot formulation containing citrate 参天制药株式会社 2018-02-16 CN disclosed
CN-107427587-A Slow release medical composition 参天制药株式会社 2017-12-01 CN disclosed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP disclosed
WO-2006003974-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE KOWA CO., LTD. (JP) 2006-01-12 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-20080045714-A1 Method for Producing Cyclic Diamine Derivative SAT1, ACAT2, NAT1 GAA 1164/4885NPC1 1146/4885RAB9A 2669/4885

“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.