SCHEMBL10022657

SCHEMBL10022657

O=C(O)c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
HPGDS O60760 1/20 0.46
HPGD P15428 3/20 0.42
RPS6KB2 Q9UBS0 1/20 0.41
NPC1 O15118 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 1/20 0.40
HDAC1 Q13547 1/20 0.39
FTO Q9C0B1 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL3846747 0.80 RPS6KB2 (0.39) RAB9APOLBMEN1KMT2AMKNK1
SCHEMBL6414058 0.75 KDM4E (0.54) RAB9APOLBMEN1KMT2AMKNK1
SCHEMBL70574 0.73 L3MBTL1 (0.44) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL5267243 0.72 ALKBH2 (0.53) RAB9AHPGDSNPC1SMN1; SMN2
SCHEMBL1761545 0.71 RAB9A (0.92) RAB9APOLBMEN1KMT2AMKNK1
SCHEMBL1750818 0.70 NR3C1 (0.38) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL15376716 0.68 ACHE (0.47) RAB9APOLBMEN1KMT2AMKNK1
SCHEMBL2491267 0.68 RAB9A (1.00) RAB9APOLBMEN1KMT2AMKNK1
SCHEMBL510284 0.68 FGFR1 (0.32) RAB9AMEN1KMT2AKDM4EHPGD
SCHEMBL6260315 0.67 RAB9A (0.83) RAB9APOLBMEN1KMT2AMKNK1

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 RAB9A 100/4885POLB 2716/4885MEN1 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.