SCHEMBL5233487

SCHEMBL5233487

C[C@H]1CC[C@H](C(=O)N(c2nn(-c3ccccc3)cc2C(=O)O)C2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.38
CACNA2D1 P54289 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
UCHL1 P09936 1/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 3/20 0.35

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
SCHEMBL5233491 1.00 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5235776 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5238433 0.91 CACNA2D1 (0.43) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5230831 0.91 CACNA2D1 (0.42) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5237029 0.91 CACNA2D1 (0.43) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5230826 0.91 CACNA2D1 (0.42) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5237888 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5235207 0.89 L3MBTL1 (0.35) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5235195 0.89 L3MBTL1 (0.35) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5228332 0.87 NPSR1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT

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 10 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
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US 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 ALDH1A1 1138/4885L3MBTL1 2059/4885KDM4E 2215/4885

“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.