SCHEMBL6003834

SCHEMBL6003834

CCOC(=O)CCCCCNC(=O)n1ccc(C(=O)N(Br)c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
NAMPT P43490 2/20 0.41
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAPT P10636 3/20 0.33
HCRTR2 O43614 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL6003826 0.80 ALOX15 (0.67) ALOX15NAMPTPOLBALDH1A1HDAC3
SCHEMBL3915623 0.78 ALOX15 (0.65) ALOX15NAMPTPOLBALDH1A1HDAC6
SCHEMBL6002607 0.73 ALOX15 (0.65) ALOX15NAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL6003810 0.72 ALOX15 (0.53) ALOX15NAMPTALDH1A1HDAC6LTA4H
SCHEMBL6004193 0.68 ALOX15 (0.73) ALOX15NAMPTALDH1A1MAPTLMNA
SCHEMBL2909325 0.68 ALOX15 (1.00) ALOX15NAMPTALDH1A1HDAC3HDAC1
SCHEMBL6002505 0.68 ALOX15 (0.62) ALOX15NAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL6004378 0.68 ALOX15 (0.48) ALOX15NAMPTPOLBALDH1A1LTA4H
SCHEMBL6004843 0.67 ALOX15 (0.69) ALOX15NAMPTPOLBALDH1A1LMNA
SCHEMBL6004365 0.67 ALOX15 (0.61) ALOX15NAMPTPOLBALDH1A1HDAC3

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 1/4885NAMPT 1461/4885POLB 2660/4885

“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.