SCHEMBL13063112

SCHEMBL13063112

Nc1cc2[nH]ccc2cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.52
CSNK2A1 P68400 1/20 0.41
AHR P35869 7/20 0.41
CYP2A6 P11509 3/20 0.41
NR4A2 P43354 2/20 0.41
CMA1 P23946 1/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
TYR P14679 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.40
F2 P00734 1/20 0.39
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
MEN1 O00255 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
SCHEMBL31481612 0.82 GPR84 (0.54) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL3131647 0.82 GPR84 (0.54) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL916811 0.75 GPR84 (0.47) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL5496842 0.75 CSNK2A1 (0.55) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL15984707 0.75 TYR (0.50) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL398920 0.75 CSNK2A1 (0.60) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL397084 0.75 CSNK2A1 (0.55) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL394578 0.75 GPR84 (0.69) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL25594837 0.75 CSNK2A1 (0.55) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL8527499 0.75 CSNK2A1 (0.60) GPR84CSNK2A1AHRCYP2A6NR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 US disclosed
WO-2010054138-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-14 WO 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-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GPR84 409/4885CSNK2A1 4288/4885AHR 1044/4885

“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.