SCHEMBL5236541

SCHEMBL5236541

CCOC(=O)c1cn(-c2ccc(COc3ccccc3)cc2)nc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 5/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL5236551 1.00 NPC1 (0.40) NPC1RAB9AALDH1A1NPSR1GLA
SCHEMBL5237047 0.97 L3MBTL1 (0.42) NPC1RAB9AALDH1A1NPSR1GLA
SCHEMBL5237053 0.97 L3MBTL1 (0.42) NPC1RAB9AALDH1A1NPSR1GLA
SCHEMBL5230778 0.91 ALKBH1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5230782 0.91 ALKBH1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5231637 0.90 RAB9A (0.42) NPC1RAB9AALDH1A1NPSR1GLA
SCHEMBL5231628 0.90 RAB9A (0.42) NPC1RAB9AALDH1A1NPSR1GLA
SCHEMBL5318141 0.90 NPSR1 (0.47) NPC1RAB9AALDH1A1NPSR1GLA
SCHEMBL5318137 0.90 NPSR1 (0.47) NPC1RAB9AALDH1A1NPSR1GLA
SCHEMBL5238262 0.89 NPC1 (0.39) NPC1RAB9AALDH1A1NPSR1GLA

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 5 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
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

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 NPC1 352/4885RAB9A 1879/4885ALDH1A1 1138/4885

“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.