SCHEMBL5232176

SCHEMBL5232176

C[C@H]1CC[C@H](C(=O)N(c2nn(-c3ccc(/C=C\c4ccccc4)cc3)cc2C(=O)O)C2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 8/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
MAOB P27338 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL5232191 1.00 MEN1 (0.36) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL5234148 1.00 MEN1 (0.36) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL5232188 1.00 MEN1 (0.36) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL5237888 0.92 ALDH1A1 (0.39) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL5235776 0.92 ALDH1A1 (0.39) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL14459848 0.89 NPSR1 (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5235869 0.89 NPSR1 (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5235862 0.89 NPSR1 (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5232271 0.88 KDM4E (0.32) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL5233603 0.88 KDM4E (0.32) MEN1KMT2AMAPTKDM4ENPC1

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 6 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

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 4445/4885MAPT 4522/4885

“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.