SCHEMBL5230091

SCHEMBL5230091

C/C=C(\c1ccccc1)c1ccc(-n2cc(C(=O)O)c(N(C(=O)[C@H]3CC[C@H](C)CC3)C(C)C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL5236936 1.00 MEN1 (0.33) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5230099 1.00 MEN1 (0.33) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5230228 0.90 ALDH1A1 (0.39) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5230218 0.90 ALDH1A1 (0.39) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5228434 0.90 MEN1 (0.34) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5236652 0.90 MEN1 (0.34) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5233321 0.89 KMT2A (0.35) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5233329 0.89 KMT2A (0.35) MEN1KMT2AHTTUSP2KDM5B
SCHEMBL5230390 0.89 L3MBTL1 (0.38) MEN1KMT2AUSP2KDM5BALDH1A1
SCHEMBL5230395 0.89 L3MBTL1 (0.38) MEN1KMT2AUSP2KDM5BALDH1A1

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 4 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-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

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 MEN1 4820/4885KMT2A 4445/4885HTT 2662/4885

“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.