SCHEMBL13208331

SCHEMBL13208331

CC(C)(C)c1ccc(F)c(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
IDO1 P14902 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.36
HTR1D P28221 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALOX5AP P20292 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10235450 0.82 CYP2D6 (0.42) CYP2D6IDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL268985 0.82 IDO1 (0.58) IDO1
SCHEMBL30638488 0.82 IDO1 (0.58) IDO1
SCHEMBL8762233 0.81 CYP2C19 (0.47) CYP2D6CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL31012297 0.81 CYP2C19 (0.47) CYP2D6CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL15978918 0.80 CYP2D6 (0.41) CYP2D6IDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL16500524 0.80 KLF10 (0.48) CYP2D6IDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL8101172 0.80 IDO1 (0.43) CYP2D6IDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL20207510 0.78 CYP2D6 (0.40) CYP2D6IDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL15785391 0.78 CYP2C19 (0.65) CYP2D6IDO1CYP1A2CYP2C19ALDH1A1

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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 CYP2D6 2014/4885IDO1 55/4885CYP1A2 1795/4885

“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.