SCHEMBL6009448

SCHEMBL6009448

COc1ccc(C(=O)c2ccc(N)n2C)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TUBB4A P04350 1/20 0.48

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
SCHEMBL7685205 0.78 CXCL8 (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7681835 0.77 TSHR (0.53) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1493250 0.77 CYP1A2 (1.00) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9364577 0.75 CYP1A2 (0.96) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11814758 0.75 TSHR (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8500772 0.74 CYP1A2 (0.79) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4823451 0.74 CYP1A2 (0.79) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7807601 0.72 CYP1A2 (0.68) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL335681 0.71 MAPK1 (0.77) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29415167 0.71 MAPK1 (0.77) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 TSHR 729/4885CYP1A2 1686/4885CYP3A4 1856/4885

“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.