SCHEMBL6004838

SCHEMBL6004838

CCCCNC(=O)n1ccc(C(=O)N(C)c2ccccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
HPGD P15428 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
BCHE P06276 1/20 0.37
KMT2A Q03164 2/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
NAMPT P43490 2/20 0.36
ASAH1 Q13510 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6003427 0.84 MAPT (0.40) GPBAR1RAB9ANPC1KMT2AALDH1A1
SCHEMBL6002581 0.73 MGLL (0.41) ALOX15GPBAR1RAB9ANPC1KMT2A
SCHEMBL162022 0.70 ALOX15 (0.47) ALOX15BCHEKMT2AHTTTSHR
SCHEMBL3989236 0.69 ALOX15 (0.94) ALOX15RAB9ANPC1KMT2AF2
SCHEMBL6003857 0.67 ALOX15 (0.69) ALOX15RAB9ANPC1KMT2ATSHR
SCHEMBL2907641 0.67 ALOX15 (1.00) ALOX15RAB9ANPC1KMT2AF2
SCHEMBL11784631 0.66 HPGD (0.54) HPGDRAB9ANPC1ALDH1A1HTT
SCHEMBL10573755 0.66 HPGD (0.50) HPGDRAB9ANPC1KMT2AALDH1A1
SCHEMBL31453167 0.64 GPBAR1 (0.47) GPBAR1KMT2A
SCHEMBL23723514 0.62 HPGD (0.39) HPGDGPBAR1ALDH1A1HTT

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 ALOX15 1/4885HPGD 68/4885GPBAR1 890/4885

“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.