SCHEMBL504096

SCHEMBL504096

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2n1-c1ccc(NCc2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 8/20 0.45
CYP3A4 P08684 7/20 0.45
CYP2C9 P11712 7/20 0.45
CYP2D6 P10635 5/20 0.42
CYP1A2 P05177 5/20 0.42
NAMPT P43490 3/20 0.40
FFAR1 O14842 2/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SCN9A Q15858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
CXCR3 P49682 1/20 0.37

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
SCHEMBL504299 0.91 FFAR1 (0.46) FFAR1RAB9A
SCHEMBL10076916 0.83 PPARG (0.47)
SCHEMBL504095 0.82 KDM4C (0.38) CYP3A4KDM4CCXCR3
SCHEMBL503870 0.81 MRGPRX4 (0.47) FFAR1MMP1MMP9MMP14
SCHEMBL333656 0.80 PPARG (0.43)
SCHEMBL333774 0.79 PPARG (0.46) SCN9A
SCHEMBL333611 0.79 PPARG (0.47) CYP2C19CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL503816 0.79 KDM4E (0.44)
SCHEMBL504356 0.79 PPARG (0.42)
SCHEMBL361319 0.79 PPARG (0.42)

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-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R CYP2C19 305/4885CYP3A4 443/4885CYP2C9 655/4885

“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.