SCHEMBL6004813

SCHEMBL6004813

O=C(Nc1ccccc1Cl)c1ccn(C(=O)Oc2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 5/20 0.51
F2 P00734 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
EPHB3 P54753 8/20 0.45
RIPK2 O43353 1/20 0.44
LCK P06239 1/20 0.44
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL6004828 0.79 RAB9A (0.63) RAB9ANPC1KMT2AF2HTT
SCHEMBL6004192 0.78 KMT2A (0.58) RAB9ANPC1KMT2AF2ALOX15
SCHEMBL13210095 0.73 RAB9A (0.60) RAB9ANPC1KMT2AF2ALOX15
SCHEMBL6003833 0.70 KMT2A (0.61) RAB9ANPC1KMT2AF2ALOX15
SCHEMBL21883127 0.69 RAB9A (0.49) RAB9ANPC1KMT2AF2ALOX15
SCHEMBL21883161 0.68 KMT2A (0.51) RAB9ANPC1KMT2AF2ALOX15
SCHEMBL9902929 0.68 P4HTM (0.67) RAB9ANPC1ALOX15SMN1; SMN2EPHB3
SCHEMBL8300306 0.68 KMT2A (1.00) RAB9ANPC1KMT2AF2ALOX15
SCHEMBL27624754 0.67 PDE4B (0.48) KMT2AF2MEN1CYP1A2CYP2C19
SCHEMBL9553829 0.66 MEN1 (0.56) RAB9ANPC1KMT2AMEN1KDM4E

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.