SCHEMBL10133256

SCHEMBL10133256

O=C(Cc1ccccc1)NCc1ccc(O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
LMNA P02545 2/20 0.75
CDK5 Q00535 1/20 0.73
CDK5R1 Q15078 1/20 0.73
RAB9A P51151 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
ERCC1 P07992 1/20 0.69
ERCC4 Q92889 1/20 0.69
GAA P10253 2/20 0.68
MAPT P10636 1/20 0.68
TRPV1 Q8NER1 3/20 0.67
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67

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
SCHEMBL3838048 1.00 ALDH1A1 (0.75) ALDH1A1LMNACDK5CDK5R1RAB9A
SCHEMBL13960177 0.95 ALDH1A1 (0.84) ALDH1A1LMNACDK5CDK5R1RAB9A
SCHEMBL13960176 0.95 ALDH1A1 (0.84) ALDH1A1LMNACDK5CDK5R1RAB9A
SCHEMBL392625 0.91 ALDH1A1 (0.82) ALDH1A1LMNARAB9AL3MBTL1ERCC1
SCHEMBL14758329 0.86 ALDH1A1 (1.00) ALDH1A1LMNARAB9AL3MBTL1ERCC1
SCHEMBL10133036 0.86 ALDH1A1 (1.00) ALDH1A1LMNARAB9AL3MBTL1ERCC1
SCHEMBL8008513 0.85 CDK5 (1.00) ALDH1A1LMNACDK5CDK5R1RAB9A
SCHEMBL1656898 0.84 L3MBTL1 (1.00) ALDH1A1LMNARAB9AL3MBTL1ERCC1
SCHEMBL14340623 0.84 ALDH1A1 (0.73) ALDH1A1LMNARAB9AL3MBTL1ERCC1
SCHEMBL7285179 0.84 ALDH1A1 (0.73) ALDH1A1LMNARAB9AL3MBTL1ERCC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 WO disclosed
US-4013618-A NITROGEN-CONTAINING STABILIZER TOYOBO CO., LTD. (JA) 1977-03-22 US disclosed
US-3957905-A HALOGENATED BISPHENYL COMPOUND, ANTIMONY COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JA) 1976-05-18 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 ALDH1A1 4811/4885LMNA 2046/4885CDK5 209/4885

“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.