SCHEMBL5652334

SCHEMBL5652334

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 8/20 0.46
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
MAPK1 P28482 2/20 0.38
CHEK1 O14757 1/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 2/20 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

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
SCHEMBL5652329 1.00 RAB9A (0.46) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5238262 0.94 NPC1 (0.39) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5232093 0.94 NPC1 (0.39) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5232099 0.94 NPC1 (0.39) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5238271 0.94 NPC1 (0.39) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5231275 0.93 CA12 (0.40) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5235387 0.93 NPC1 (0.46) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5229964 0.93 NPC1 (0.45) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5229973 0.93 NPC1 (0.45) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5235380 0.93 NPC1 (0.46) RAB9ANPC1ALDH1A1NPSR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1879/4885NPC1 352/4885ALDH1A1 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.