SCHEMBL5236307

SCHEMBL5236307

CCOC(=O)c1cn(-c2ccc(C=O)cc2)nc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
NPSR1 Q6W5P4 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5236302 1.00 NPC1 (0.38) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5232189 0.92 MEN1 (0.38) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5232185 0.92 MEN1 (0.38) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5652329 0.91 RAB9A (0.46) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5652334 0.91 RAB9A (0.46) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5232198 0.91 NPC1 (0.42) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5230314 0.91 NPC1 (0.42) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL14459836 0.91 NPC1 (0.42) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5238271 0.90 NPC1 (0.39) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5232099 0.90 NPC1 (0.39) NPC1RAB9ANPSR1ALDH1A1SMN1; 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 1879/4885NPSR1 3202/4885

“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.