SCHEMBL10022355

SCHEMBL10022355

CC(C)c1ccc2c(c1)C1C=CCC1C(c1cccnc1)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 3/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
USP7 Q93009 2/20 0.48
CYBB P04839 1/20 0.47
AR P10275 3/20 0.46
KIF11 P52732 2/20 0.46

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
SCHEMBL16168697 0.87 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10101414 0.86 USP7 (0.63) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15213476 0.80 USP7 (0.77) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17458754 0.80 CA12 (0.68) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17464564 0.80 CA12 (0.68) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL14581382 0.76 GRK6 (0.74) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8298553 0.76 GRK6 (0.74) MAPTKDM4EMEN1KMT2AALDH1A1
Golgicide A SCHEMBL17167481 0.72 MAPT (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
Golgicide A SCHEMBL29893179 0.72 MAPT (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
Golgicide A SCHEMBL8075106 0.72 MAPT (0.45) MAPTKDM4EMEN1KMT2AALDH1A1

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
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA MAPT 797/4885KDM4E 2031/4885MEN1 1338/4885

“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.