SCHEMBL5453051

SCHEMBL5453051

Fc1ccccc1C[N]c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 3/20 0.37
GAA P10253 1/20 0.37
PNMT P11086 2/20 0.36

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
SCHEMBL423414 0.73 TAAR1 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3003528 0.71 TAAR1 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL27616376 0.71 HTT (0.54) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11195639 0.70 TAAR1 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL27604357 0.68 TAAR1 (0.50) TAAR1MEN1KMT2AL3MBTL1MAPT
SCHEMBL12463715 0.67 TAAR1 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL14387546 0.67 TAAR1 (0.48) TAAR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5461597 0.67 ROCK1 (0.40) HTTTAAR1MEN1KMT2AALDH1A1
SCHEMBL10387393 0.66 MEN1 (0.43) CYP1A2CYP2C9CYP2C19HTTTAAR1
SCHEMBL8155665 0.66 TAAR1 (0.41) CYP1A2CYP2C9CYP2C19HTTTAAR1

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-20070093531-A1 Novel hydroxyindoles, their use as inhibitors of phosphodiesterase 4, and processes for preparing them ELBION AG 2007-04-26 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-20070093531-A1 Novel hydroxyindoles, their use as inhibitors of phosphodiesterase 4, and processes for preparing them PDE4B, PDE4A, PDE4D CYP1A2 230/4885CYP2C9 418/4885CYP2C19 169/4885

“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.