SCHEMBL744045

SCHEMBL744045

O=C(O)CCCCc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 1.00
MAPT P10636 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
NAPRT Q6XQN6 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HRH1 P35367 2/20 0.57
HDAC3 O15379 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
HDAC4 P56524 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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 SCHEMBL10768766 0.98 TBXAS1 (1.00) TBXAS1MAPTRXFP1NAPRTTDP1
SCHEMBL16116694 0.98 TBXAS1 (1.00) TBXAS1MAPTRXFP1NAPRTTDP1
SCHEMBL7443753 0.98 TBXAS1 (1.00) TBXAS1MAPTRXFP1NAPRTTDP1
SCHEMBL607494 0.98 TBXAS1 (1.00) TBXAS1MAPTRXFP1NAPRTTDP1
SCHEMBL1009589 0.98 TBXAS1 (1.00) TBXAS1MAPTRXFP1NAPRTTDP1
SCHEMBL30612524 0.95 TBXAS1 (0.90) TBXAS1MAPTRXFP1NAPRTTDP1
SCHEMBL1583762 0.95 TBXAS1 (0.90) TBXAS1MAPTRXFP1NAPRTTDP1
SCHEMBL11066764 0.89 TBXAS1 (0.81) TBXAS1MAPTRXFP1HDAC3MAPK1
SCHEMBL11063704 0.88 TBXAS1 (0.81) TBXAS1MAPTRXFP1
SCHEMBL11058790 0.88 TBXAS1 (0.81) TBXAS1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428305-A 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-03-18 CN claimed
CN-1761673-A guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-19 CN claimed
EP-0654035-B1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES UPJOHN CO (US) 1997-08-20 EP claimed
US-5565441-A AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES THE UPJOHN COMPANY (US) 1996-10-15 US claimed
EP-0654035-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES. UPJOHN CO (US) 1995-05-24 EP claimed
WO-1994003463-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1994-02-17 WO claimed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
WO-2023284059-A1 PREPARATION METHOD FOR SYNTHESIZING S-NICOTINE FROM GLUTARIC ACID ESTER 深圳市真味生物科技有限公司 2023-01-19 WO disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
CN-104428305-A 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-03-18 CN disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
EP-2382205-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-11-02 EP disclosed
EP-0221376-B1 N-SUBSTITUTED DIPHENYL PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 1990-06-20 EP disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 US disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 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 (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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS TBXAS1 3510/4885MAPT 4527/4885RXFP1 1513/4885

“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.