SCHEMBL5883952

SCHEMBL5883952

O=C(O)C=Cc1cncc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
RAB9A P51151 1/20 0.45
PLAU P00749 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PADI4 Q9UM07 2/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43

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
SCHEMBL5883944 1.00 HCAR2 (0.48) HCAR2RAB9APLAUHDAC3HDAC4
SCHEMBL1652327 0.80 MET (0.41) HCAR2RAB9APADI4CYP3A4CYP2C9
SCHEMBL29302361 0.80 KDM4E (0.50) HCAR2PADI4KDM4EHSD17B10CA12
SCHEMBL29137071 0.80 KDM4E (0.50) HCAR2PADI4KDM4EHSD17B10CA12
SCHEMBL6152908 0.79 CA12 (0.52) HCAR2RAB9AHDAC3HDAC4HDAC1
SCHEMBL6152906 0.79 CA12 (0.52) HCAR2RAB9AHDAC3HDAC4HDAC1
SCHEMBL1251511 0.78 HDAC3 (0.52) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1251510 0.78 HDAC3 (0.52) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9757071 0.78 HCAR2 (0.48) HCAR2RAB9AHDAC3HDAC4HDAC1
SCHEMBL9836170 0.78 HCAR2 (0.48) HCAR2RAB9AHDAC3HDAC4HDAC1

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
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
EP-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 EP 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 (2 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 HCAR2 1884/4885RAB9A 1875/4885PLAU 105/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 HCAR2 1884/4885RAB9A 1875/4885PLAU 105/4885

“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.