SCHEMBL10053919

SCHEMBL10053919

COc1ccc(C)cc1Cn1cccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4B Q07343 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KAT7 O95251 8/20 0.46
KAT6A Q92794 8/20 0.46
KAT6B Q8WYB5 5/20 0.46
KAT5 Q92993 4/20 0.46
KAT8 Q9H7Z6 4/20 0.46
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10066968 0.84 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL4345848 0.82 KMT2A (0.54) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL10022368 0.82 L3MBTL1 (0.49) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL28853149 0.81 ADRB2 (0.54) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL12340791 0.80 KLKB1 (0.45) MEN1KMT2AMAPTHTTKAT7
SCHEMBL4354266 0.80 HTT (0.56) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL8815508 0.77 KLKB1 (0.44) MEN1KMT2AMAPTNPSR1HTT
SCHEMBL29008820 0.77 KDM4E (0.52) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL31172576 0.77 HTR2A (0.46) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL4857301 0.75 PDE4B (0.55) MEN1KMT2AMAPTALDH1A1NPSR1

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-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP 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 MEN1 1338/4885KMT2A 3143/4885MAPT 797/4885

“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.