SCHEMBL6004828

SCHEMBL6004828

O=C(Nc1ccccc1Cl)c1ccn(C(=O)O)n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
F2 P00734 2/20 0.52
PLAU P00749 1/20 0.52
KLKB1 P03952 1/20 0.52
ELANE P08246 1/20 0.52
EPHB3 P54753 9/20 0.52
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
RIPK2 O43353 1/20 0.51
LCK P06239 1/20 0.51
MCL1 Q07820 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL13210095 0.84 RAB9A (0.60) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL6004813 0.79 RAB9A (0.53) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL21883127 0.79 RAB9A (0.49) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL6004192 0.79 KMT2A (0.58) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL21883161 0.73 KMT2A (0.51) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL29960964 0.72 NPC1 (0.74) RAB9ANPC1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3794850 0.72 NPC1 (0.74) RAB9ANPC1KMT2ASMN1; SMN2CYP1A2
SCHEMBL23070276 0.71 NPC1 (0.59) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL20302203 0.70 MCL1 (0.69) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL31680566 0.70 CYP1A2 (0.89) RAB9ANPC1KMT2AEPHB3CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO 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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B RAB9A 3284/4885NPC1 3112/4885KMT2A 4358/4885

“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.