SCHEMBL844020

SCHEMBL844020

N[C@@H](Cc1ccccc1)c1nc2cc(I)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.47
TAAR1 Q96RJ0 1/20 0.45
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ROCK1 Q13464 3/20 0.38
PRCP P42785 1/20 0.37
KMT2A Q03164 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL5111361 0.84 ROCK2 (0.47) ROCK2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL27756416 0.83 TAAR1 (0.63) ROCK2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL630978 0.83 TAAR1 (0.63) ROCK2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL392474 0.81 ROCK2 (0.47) ROCK2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL1519250 0.80 ROCK2 (0.70) ROCK2TAAR1ROCK1PRCP
SCHEMBL12836762 0.80 ROCK2 (0.70) ROCK2TAAR1ROCK1PRCP
SCHEMBL29786339 0.75 TAAR1 (0.57) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21788562 0.75 TAAR1 (0.57) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5103889 0.75 ROCK2 (0.52) ROCK2TAAR1CYP1A2ROCK1PRCP
SCHEMBL13950239 0.74 CYP1A2 (0.36) ROCK2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 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-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 ROCK2 167/4885TAAR1 3414/4885CYP1A2 1001/4885

“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.