SCHEMBL10127404

SCHEMBL10127404

CC(C)OC(=O)N(C)Cc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.51
MGLL Q99685 1/20 0.50
CYP19A1 P11511 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ABHD6 Q9BV23 2/20 0.43
HPGD P15428 1/20 0.40
NAMPT P43490 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
MAOB P27338 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL2969425 0.83 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL10112038 0.83 FNTA (0.44) MMP13CYP19A1TSHRMEN1KMT2A
SCHEMBL12169920 0.81 MMP13 (0.51) MMP13MGLLABHD6NAMPTTSHR
SCHEMBL13093377 0.79 CYP4F2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL24316291 0.78 HPGD (0.50) MMP13CYP19A1HPGDNAMPTLMNA
SCHEMBL7433171 0.77 MMP13 (0.48) MMP13MGLLABHD6NAMPTTSHR
SCHEMBL19210473 0.77 MMP13 (0.53) MMP13HPGDNAMPTLMNATSHR
SCHEMBL9546454 0.75 ALDH1A1 (0.54) MMP13NAMPTTSHRUSP2MAPT
SCHEMBL27325881 0.75 MMP13 (0.51) MMP13ABHD6NAMPTLMNATSHR
SCHEMBL11177738 0.74 MMP13 (0.50) MMP13MGLLNAMPTLMNATSHR

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-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2012-03-01 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-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 MMP13 480/4885MGLL 1319/4885CYP19A1 47/4885

“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.