SCHEMBL5234569

SCHEMBL5234569

CCOC(=O)c1cn(-c2ccc(-c3ccccc3)cc2)nc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.47
CA9 Q16790 5/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
USP2 O75604 1/20 0.40
ATM Q13315 1/20 0.40
CHEK1 O14757 3/20 0.39
EGFR P00533 3/20 0.39
KDR P35968 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 2/20 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
SCHEMBL5234578 1.00 CA12 (0.47) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5318141 0.95 NPSR1 (0.47) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5318137 0.95 NPSR1 (0.47) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5231628 0.91 RAB9A (0.42) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5231637 0.91 RAB9A (0.42) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5652329 0.91 RAB9A (0.46) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5652334 0.91 RAB9A (0.46) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5230314 0.91 NPC1 (0.42) CA12CA9NPC1RAB9ANPSR1
SCHEMBL14459836 0.91 NPC1 (0.42) CA12CA9NPC1RAB9ANPSR1
SCHEMBL5232198 0.91 NPC1 (0.42) CA12CA9NPC1RAB9ANPSR1

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 CA12 4270/4885CA9 3715/4885NPC1 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.