SCHEMBL6004355

SCHEMBL6004355

O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccn(C(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 4/20 0.47
KMT2A Q03164 2/20 0.47
TMPRSS4 Q9NRS4 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC2A1 P11166 1/20 0.46
P2RX1 P51575 1/20 0.46
P2RX4 Q99571 1/20 0.46
P2RX7 Q99572 1/20 0.46
MAPT P10636 2/20 0.46
HIF1A Q16665 1/20 0.45
ALOX15 P16050 2/20 0.45

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
SCHEMBL6004187 0.84 ALOX15 (0.67) TSHRALDH1A1RXFP1KMT2AMEN1
SCHEMBL6003781 0.79 NPY5R (0.49) TSHRALDH1A1RXFP1KMT2AKDM4E
SCHEMBL17664366 0.71 GRIK1 (0.58) ALDH1A1RXFP1KMT2ATMPRSS4MEN1
SCHEMBL17664372 0.70 RXFP1 (0.58) ALDH1A1RXFP1KMT2AMEN1MAPT
SCHEMBL6004189 0.70 ALOX15 (0.66) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL17664277 0.70 MAPT (0.59) ALDH1A1KMT2AMEN1MAPT
SCHEMBL16008793 0.69 GRIK1 (0.58) KMT2AMEN1MAPT
SCHEMBL13561074 0.69 KMT2A (0.72) TSHRALDH1A1KMT2ATMPRSS4MEN1
SCHEMBL17664311 0.69 P2RX1 (0.66) RXFP1KMT2ATMPRSS4MEN1SLC2A1
SCHEMBL6522071 0.69 NPC1 (0.53) ALDH1A1KMT2AKDM4EMEN1HPGD

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 1 patent. 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

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 TSHR 1521/4885ALDH1A1 763/4885RXFP1 702/4885

“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.