SCHEMBL4249036

SCHEMBL4249036

CCc1ccccc1C(C)[NH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
TP53 P04637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL29657207 0.81 GABRA1 (0.46) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL545484 0.81 GABRA1 (0.46) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL6546540 0.81 GABRA1 (0.42) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL14650862 0.79 GABRA1 (0.41) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL10721566 0.79 GABRA1 (0.46) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL25066278 0.77 CYP2D6 (0.42) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL3627333 0.77 TSHR (0.59) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL13795689 0.77 CYP2D6 (0.42) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL8750534 0.77 GABRA1 (0.39) GABRA1GABRB2TSHRMAPTNPSR1
SCHEMBL3931197 0.77 GABRA1 (0.44) GABRA1GABRB2TSHRMAPTNPSR1

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-20090099192-A1 Substituted 1H-pyrrole-2,5-diones BAYER CROPSCIENCE AG (DE) 2009-04-16 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-20090099192-A1 Substituted 1H-pyrrole-2,5-diones PYCR1, COX5A, COX5B GABRA1 2102/4885GABRB2 2184/4885TSHR 1509/4885

“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.