SCHEMBL5235380

SCHEMBL5235380

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5235387 1.00 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1NPSR1
SCHEMBL5652334 0.93 RAB9A (0.46) NPC1RAB9ALMNAALDH1A1NPSR1
SCHEMBL5652329 0.93 RAB9A (0.46) NPC1RAB9ALMNAALDH1A1NPSR1
SCHEMBL5238262 0.92 NPC1 (0.39) NPC1RAB9ALMNAALDH1A1NPSR1
SCHEMBL5232099 0.92 NPC1 (0.39) NPC1RAB9ALMNAALDH1A1NPSR1
SCHEMBL5232093 0.92 NPC1 (0.39) NPC1RAB9ALMNAALDH1A1NPSR1
SCHEMBL5238271 0.92 NPC1 (0.39) NPC1RAB9ALMNAALDH1A1NPSR1
SCHEMBL5237808 0.91 MAPT (0.41) NPC1RAB9ALMNANPSR1SMN1; SMN2
SCHEMBL5235118 0.91 MAPT (0.41) NPC1RAB9ALMNANPSR1SMN1; SMN2
SCHEMBL5235105 0.91 MAPT (0.41) NPC1RAB9ALMNANPSR1SMN1; SMN2

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 2 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

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 1879/4885LMNA 3020/4885

“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.