SCHEMBL168400

SCHEMBL168400

Cn1c(C(=O)NCc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
ROCK2 O75116 4/20 0.46
NR1H2 P55055 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
QRFPR Q96P65 4/20 0.43
CYP2D6 P10635 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
USP30 Q70CQ3 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL566626 0.84 ROCK2 (0.59) ROCK2HDAC1MEN1KMT2AL3MBTL1
SCHEMBL117608 0.82 ROCK2 (0.48) ROCK2HDAC1MEN1KMT2AL3MBTL1
SCHEMBL118485 0.79 ROCK2 (0.46) ROCK2HDAC1CYP2D6MEN1KMT2A
SCHEMBL116750 0.79 ROCK2 (0.46) ROCK2HDAC1CYP2D6MEN1KMT2A
SCHEMBL118962 0.78 ROCK2 (0.45) ROCK2CYP2D6MEN1KMT2AL3MBTL1
SCHEMBL119128 0.78 QRFPR (0.58) HDAC1HDAC6QRFPRCYP2D6KCNE1
SCHEMBL566537 0.77 ROCK2 (0.44) ROCK2HDAC1MEN1KMT2AL3MBTL1
SCHEMBL118024 0.76 QRFPR (0.56) HDAC1HDAC6QRFPRCYP2D6KCNE1
SCHEMBL167070 0.76 MEN1 (0.49) ROCK2HDAC1MEN1KMT2AL3MBTL1
SCHEMBL175520 0.75 QRFPR (0.57) ROCK2HDAC6QRFPRCYP2D6KCNE1

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-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US disclosed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 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-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE HTR1F, HTR3C, HTR6 ESR2 1065/4885ROCK2 1387/4885NR1H2 311/4885

“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.