SCHEMBL1553413

SCHEMBL1553413

CCCC(=O)[N]c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX5 P09917 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 2/20 0.40
RECQL P46063 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7441502 0.88 CES2 (0.50) CES2CES1L3MBTL1TP53ALDH1A1
SCHEMBL7450293 0.86 CES2 (0.51) CES2CES1TP53ALDH1A1MAPT
SCHEMBL2592 0.83 CES2 (0.43) CES2CES1SMN1; SMN2L3MBTL1TP53
SCHEMBL7162802 0.81 NR4A2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL5507382 0.80 NOS3 (0.40) HPGDMAPTKMT2ARAB9ACYP2C19
SCHEMBL11784915 0.75 MAPT (0.43) CES1SMN1; SMN2HPGDL3MBTL1ALOX5
SCHEMBL8012738 0.75 HDAC1 (0.60) SMN1; SMN2L3MBTL1ALOX5ALDH1A1MAPT
SCHEMBL2229589 0.74 MAPT (0.41) CES1SMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL5839905 0.74 HTR3E (0.39) CES2CES1SMN1; SMN2HPGDL3MBTL1
SCHEMBL4704606 0.73 TSHR (0.43) SMN1; SMN2HPGDL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP claimed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
US-20120288482-A1 THERAPEUTIC AGENT (Y-39983) FOR CORNEAL ENDOTHELIAL DYSFUNCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-11-15 US disclosed
EP-2519237-A1 THERAPEUTIC AGENT (Y - 39983 ) FOR CORNEAL ENDOTHELIAL DYSFUNCTION Senju Pharmaceutical Co., Ltd. (JP) 2012-11-07 EP disclosed
EP-1459743-B9 Agent for prophylaxis and treatment of glaucoma SENJU PHARMA CO (JP) 2012-08-01 EP disclosed
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
EP-1459742-B9 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2012-05-02 EP disclosed
EP-1459743-B1 Agent for prophylaxis and treatment of glaucoma SENJU PHARMA CO (JP) 2011-10-19 EP disclosed
EP-1459742-B1 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2011-10-12 EP disclosed
EP-1295607-B9 ANTITUMOR EFFECT POTENTIATORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-10-05 EP disclosed
EP-0083923-B1 AMINOACYL-CONTAINING DIPEPTIDE DERIVATIVES USEFUL AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1988-10-19 EP disclosed
US-4774331-A THIOCYANATION IN PRESENCE OF BORON TRIFLUORIDE SHIONOGI & CO., LTD. (JP) 1988-09-27 US disclosed
EP-0266849-A1 Process for introducing a thiocarboxylic ester group at the ortho-position of phenols or phenylamines SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-05-11 EP disclosed
EP-0257583-A1 Process for ortho-cyanation of phenols or phenylamines SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-03-02 EP disclosed
US-4555502-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1985-11-26 US disclosed
US-4435394-A 3-Sulfonamido-benzophenonimine derivatives useful for treating virus infections SHIONOGI & CO., LTD. (JP) 1984-03-06 US disclosed
EP-0083923-A2 Aminoacyl-containing dipeptide derivatives useful as antihypertensives MERCK & CO. INC. (US) 1983-07-20 EP disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 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-20120288482-A1 THERAPEUTIC AGENT (Y-39983) FOR CORNEAL ENDOTHELIAL DYSFUNCTION YES1, VCAM1, EDF1 CES2 4317/4885CES1 3391/4885SMN1; SMN2 4830/4885

“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.