SCHEMBL5229742

SCHEMBL5229742

CCOC(=O)c1cn(-c2cccc(C(F)(F)F)c2)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
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2C9 P11712 2/20 0.37
ELANE P08246 2/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
AADAT Q8N5Z0 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
SCHEMBL5229752 1.00 NPSR1 (0.40) NPSR1MAPTTP53ALDH1A1POLB
SCHEMBL5654982 0.92 HPGD (0.36) NPSR1MAPTTP53ALDH1A1POLB
SCHEMBL5320480 0.92 HPGD (0.36) NPSR1MAPTTP53ALDH1A1POLB
SCHEMBL5230149 0.90 NPC1 (0.39) NPSR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL5230145 0.90 NPC1 (0.39) NPSR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL5235745 0.90 NPSR1 (0.38) NPSR1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL5235753 0.90 NPSR1 (0.38) NPSR1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL5237859 0.89 NPC1 (0.41) NPSR1TP53ALDH1A1POLBSMN1; SMN2
SCHEMBL5237855 0.89 NPC1 (0.41) NPSR1TP53ALDH1A1POLBSMN1; SMN2
SCHEMBL5228952 0.89 NPC1 (0.50) NPSR1ALDH1A1POLBSMN1; SMN2NPC1

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 NPSR1 3202/4885MAPT 4522/4885TP53 1628/4885

“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.