SCHEMBL5235207

SCHEMBL5235207

CC(=O)N1CCC(N(C(=O)C2CCC(C)CC2)c2nn(-c3ccccc3)cc2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 2/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 3/20 0.35
OPRM1 P35372 3/20 0.35
NPY5R Q15761 1/20 0.34
ACHE P22303 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL5235195 1.00 L3MBTL1 (0.35) L3MBTL1ALDH1A1USP2ATMKDM4E
SCHEMBL5237029 0.90 CACNA2D1 (0.43) L3MBTL1ALDH1A1USP2ATMKDM4E
SCHEMBL5238433 0.90 CACNA2D1 (0.43) L3MBTL1ALDH1A1USP2ATMKDM4E
SCHEMBL5231976 0.90 ATM (0.37) L3MBTL1ALDH1A1USP2ATMHPGD
SCHEMBL5231969 0.90 ATM (0.37) L3MBTL1ALDH1A1USP2ATMHPGD
SCHEMBL5233491 0.89 ALDH1A1 (0.38) L3MBTL1ALDH1A1USP2ATMKDM4E
SCHEMBL5233487 0.89 ALDH1A1 (0.38) L3MBTL1ALDH1A1USP2ATMKDM4E
SCHEMBL5232225 0.89 NPSR1 (0.43) L3MBTL1ALDH1A1USP2ATMKDM4E
SCHEMBL5232231 0.89 NPSR1 (0.43) L3MBTL1ALDH1A1USP2ATMKDM4E
SCHEMBL5232570 0.87 OPRM1 (0.37) ALDH1A1USP2ATMCACNA2D1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP claimed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP claimed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 WO claimed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L L3MBTL1 2059/4885ALDH1A1 1138/4885USP2 3648/4885

“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.