SCHEMBL13501302

SCHEMBL13501302

O=C(O)c1cccc(CNC(=O)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.76
PPARG P37231 1/20 0.67
HDAC6 Q9UBN7 3/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
ERCC1 P07992 1/20 0.64
ERCC4 Q92889 1/20 0.64
CYP4Z1 Q86W10 1/20 0.62
EPHX2 P34913 2/20 0.61
HDAC1 Q13547 1/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
MITF O75030 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
MMP13 P45452 1/20 0.57
HPGD P15428 1/20 0.57
MEP1B Q16820 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL22047184 0.91 PPARG (0.78) NR1H4PPARGHDAC6HDAC2HDAC8
SCHEMBL11901042 0.91 HDAC6 (0.70) NR1H4PPARGHDAC6HDAC2HDAC8
SCHEMBL8355389 0.91 NR1H4 (0.64) NR1H4PPARGHDAC6HDAC2HDAC8
SCHEMBL27819662 0.89 NR1H4 (0.71) NR1H4PPARGCYP4Z1EPHX2RAB9A
SCHEMBL27749373 0.89 NR1H4 (0.71) NR1H4PPARGHDAC6HDAC2HDAC8
SCHEMBL16127853 0.87 KMT2A (0.73) NR1H4PPARGHDAC6HDAC2HDAC8
SCHEMBL27819698 0.86 NPC1 (0.63) NR1H4PPARGHDAC6HDAC2HDAC8
SCHEMBL27819670 0.86 NR1H4 (0.63) NR1H4PPARGHDAC6HDAC2HDAC8
SCHEMBL15600276 0.86 NR1H4 (0.61) NR1H4RAB9ANPC1MITFMAPK1
SCHEMBL457082 0.85 HDAC6 (0.79) NR1H4HDAC6HDAC2HDAC8ERCC1

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-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 NR1H4 2683/4885PPARG 3675/4885HDAC6 1508/4885

“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.