SCHEMBL5232185

SCHEMBL5232185

C=Cc1ccc(-n2cc(C(=O)OCC)c(N(C(=O)[C@H]3CC[C@H](C)CC3)C(C)C)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
NPSR1 Q6W5P4 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 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
SCHEMBL5232189 1.00 MEN1 (0.38) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL5236302 0.92 NPC1 (0.38) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5236307 0.92 NPC1 (0.38) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5652329 0.90 RAB9A (0.46) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5652334 0.90 RAB9A (0.46) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5232198 0.90 NPC1 (0.42) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5230314 0.90 NPC1 (0.42) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL14459836 0.90 NPC1 (0.42) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5238271 0.89 NPC1 (0.39) KMT2ANPC1RAB9ANPSR1ALDH1A1
SCHEMBL5232099 0.89 NPC1 (0.39) KMT2ANPC1RAB9ANPSR1ALDH1A1

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 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 MEN1 4820/4885KMT2A 4445/4885NPC1 352/4885

“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.