SCHEMBL6003781

SCHEMBL6003781

O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1ccn(C(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.49
ALDH1A1 P00352 2/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 4/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
KDR P35968 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6003902 0.82 ALOX15 (0.63) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL6004355 0.79 TSHR (0.51) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL6004365 0.77 ALOX15 (0.61) ALDH1A1KMT2AKDM4EHPGDRXFP1
SCHEMBL6002626 0.73 TP53 (0.52) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6002665 0.73 ALOX15 (0.64) ALDH1A1TP53
SCHEMBL6003943 0.72 TP53 (0.53) KMT2AMEN1TDP1MAPTTP53
SCHEMBL4199019 0.69 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL11195290 0.68 MAPT (0.68) NPY5RALDH1A1KMT2AMEN1GAA
SCHEMBL9475099 0.65 POLB (0.65) ALDH1A1KMT2AMEN1RXFP1POLB
SCHEMBL6004187 0.65 ALOX15 (0.67) ALDH1A1KMT2AMEN1HPGDTSHR

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 NPY5R 317/4885ALDH1A1 763/4885AKR1C3 223/4885

“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.