SCHEMBL62707

SCHEMBL62707

NC(=O)c1cccnc1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SYK P43405 3/20 0.46
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
AHR P35869 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P2RX7 Q99572 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
METAP2 P50579 1/20 0.40
LMNA P02545 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39

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
Hydrochloric Acid SCHEMBL30786354 0.98 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30666151 0.87 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL732196 0.86 PARP1 (0.50) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL497429 0.85 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2497122 0.84 KDM4E (0.56) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9858538 0.84 KDM4E (0.55) KDM4EALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL9339087 0.83 PARP1 (0.47) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24135774 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL1937751 0.81 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5196284 0.81 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813540-A Refining method of nicorandil intermediate 上海旭东海普药业有限公司 2023-09-29 CN claimed
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN claimed
CN-103370301-B Process for the manufacture of nicorandil PROCOS SPA 2015-03-18 CN claimed
CN-103370301-A Process for the manufacture of nicorandil PROCOS SPA 2013-10-23 CN claimed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US claimed
CN-101268039-A Novel carboxylic acid derivatives DSM IP ASSETS BV (NL) 2008-09-17 CN claimed
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP claimed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO claimed
CN-116813540-B Nicorandil middle method for refining intermediate 上海旭东海普药业有限公司 2026-05-01 CN disclosed
CN-118130647-A HPLC analysis method of nicorandil for injection 成都地奥九泓制药厂 2024-06-04 CN disclosed
CN-117752618-A Sterile pharmaceutical composition for treating heart failure and angina pectoris and preparation method thereof 西安丽彩医药研发有限公司 2024-03-26 CN disclosed
CN-114920691-B Preparation method of N- (2-hydroxyethyl) nicotinamide and preparation method of nicorandil 海口天行健药物研究有限公司 2024-03-08 CN disclosed
CN-115300465-B Nicotil freeze-dried powder injection for injection and preparation method thereof 上海旭东海普药业有限公司 2024-02-02 CN disclosed
CN-116813540-A Refining method of nicorandil intermediate 上海旭东海普药业有限公司 2023-09-29 CN disclosed
CN-101268039-A Novel carboxylic acid derivatives DSM IP ASSETS BV (NL) 2008-09-17 CN disclosed
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP disclosed
CN-101133019-A Derivatives of aminobutyric acid inhibiting CPT SIGMA TAU IND FARMACEUTI (IT) 2008-02-27 CN disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed
EP-1080081-A1 BENZOFUROXAN DERIVATIVES AND THEIR USE IN TREATING ANGINA PECTORIS Torrent Pharmaceuticals Ltd (IN) 2001-03-07 EP disclosed
WO-1999061430-A1 BENZOFUROXAN DERIVATIVES AND THEIR USE IN TREATING ANGINA PECTORIS SANKARANARAYANAN ALANGUDI (IN) 1999-12-02 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-20090258887-A1 Novel Carboxylic Acid Derivatives AADAC, ALDH7A1, DDC PARP1 4321/4885KDM4E 2266/4885ALDH1A1 7/4885

“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.