SCHEMBL6003833

SCHEMBL6003833

Cc1ccccc1NC(=O)c1ccn(C(=O)OCc2ccccc2Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
F2 P00734 1/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
PTGER3 P43115 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 3/20 0.43
EPHB3 P54753 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL6004192 0.92 KMT2A (0.58) KMT2AF2ALOX15RAB9ANPC1
SCHEMBL6002576 0.83 RAB9A (0.49) KMT2AF2ALOX15RAB9ANPC1
SCHEMBL6002581 0.76 MGLL (0.41) KMT2AF2ALOX15RAB9ANPC1
SCHEMBL6003824 0.76 MGLL (0.43) KMT2AF2ALOX15RAB9ANPC1
SCHEMBL8300306 0.76 KMT2A (1.00) KMT2AF2ALOX15RAB9ANPC1
SCHEMBL13626443 0.72 NPC1 (0.59) KMT2ARAB9ANPC1ALDH1A1LMNA
SCHEMBL6004828 0.71 RAB9A (0.63) KMT2AF2RAB9ANPC1ALDH1A1
SCHEMBL6469936 0.70 CASP3 (0.52) KMT2AF2RAB9ANPC1ALDH1A1
SCHEMBL8298536 0.69 KMT2A (0.64) KMT2AF2ALOX15RAB9ANPC1
SCHEMBL21883158 0.67 KMT2A (0.52) KMT2AF2ALOX15RAB9ANPC1

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 KMT2A 4358/4885F2 99/4885ALOX15 1/4885

“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.