SCHEMBL6004239

SCHEMBL6004239

CN(C(=O)c1ccn(C(=O)c2cccc(Cl)c2)n1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MDM2 Q00987 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
LMNA P02545 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL6003843 0.81 ELANE (0.52) ELANEF2PLAUKLKB1KMT2A
SCHEMBL6004358 0.75 AKR1C3 (0.47) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL1658477 0.70 MAOB (0.46) ELANEF2PLAUKLKB1KMT2A
SCHEMBL6003824 0.70 MGLL (0.43) F2KMT2AMAPTHTTRAB9A
SCHEMBL23558023 0.69 ATM (0.58) PLAUKMT2AMAPTHTTRAB9A
SCHEMBL15452713 0.67 GFER (0.55) KMT2AMAPTHTTRAB9ASMN1; SMN2
SCHEMBL9001650 0.67 MAOA (0.63) PLAUKMT2AMAPTHTTRAB9A
SCHEMBL1938785 0.67 KMO (0.66) GPBAR1TP53
SCHEMBL30097697 0.66 GPBAR1 (0.55) PLAUKMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL23413189 0.66 GPBAR1 (0.55) PLAUKMT2AMAPTRAB9ASMN1; 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 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 ELANE 120/4885F2 99/4885PLAU 1206/4885

“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.