SCHEMBL6235992

SCHEMBL6235992

NNC(=O)c1ccc(N2CCN(CC3CCCC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
SMYD3 Q9H7B4 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
AOC2 O75106 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CHRM4 P08173 1/20 0.43
NAMPT P43490 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL6132372 0.99 HDAC3 (0.53) HDAC3HDAC8SMYD3HDAC6AOC2
SCHEMBL6232666 0.85 USP2 (0.55) HDAC3HDAC8CHRM4HTR2AHTR2C
SCHEMBL6234622 0.83 HDAC3 (0.57) HDAC3HDAC8CHRM4
SCHEMBL3085835 0.82 AOC2 (0.59) HDAC3HDAC8SMYD3HDAC6AOC2
SCHEMBL6132264 0.82 HDAC3 (0.56) HDAC3HDAC8CHRM4
SCHEMBL3107802 0.81 CASP1 (0.41) HDAC6CHRM4
SCHEMBL6134717 0.81 ITGB3 (0.52) HDAC3HDAC8SMYD3HDAC6KDM4E
SCHEMBL6134192 0.80 ITGB3 (0.51) HDAC3HDAC8SMYD3HDAC6KDM4E
SCHEMBL30476653 0.79 HDAC6 (0.71) SMYD3HDAC6AOC2KDM4E
SCHEMBL6369562 0.78 ALDH1A1 (0.53) HDAC3HDAC8KDM4E

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
WO-2005009632-A2 METHODS FOR FORMING TUNABLE MOLECULAR GRADIENTS ON SUBSTRATES NORTH CAROLINA STATE UNIVERSITY (US) 2005-02-03 WO disclosed
WO-2005005463-A1 ANTIFUNGAL CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2005-01-20 WO disclosed
US-20050014685-A1 New compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
US-6770323-B2 REACTING A COMPONENT WITH A SUBSTRATE SURFACE TO FORM A FIRST DISTRIBUTION OF THE COMPONENT ON THE SURFACE; AND DEFORMING THE SURFACE ALONG ON AXIS SO THE FIRST DISTRIBUTION IS CONVERTED TO A SECOND DISTRIBUTION THAT IS A GRADIENT NORTH CAROLINA STATE UNIVERSITY 2004-08-03 US disclosed
US-20030015495-A1 Methods for forming tunable molecular gradients on substrates NORTH CAROLINA STATE UNIVERSITY 2003-01-23 US disclosed
US-20020106449-A1 TAILORING THE GRAFTING DENSITY OF ORGANIC MODIFIERS AT SOLID/LIQUID INTERFACES NORTH CAROLINA STATE UNIVERSITY 2002-08-08 US disclosed
US-6423372-B1 SURFACE TREATMENT OF ELASTIC SUBSTRATES, STRETCHING AND RELEASING NORTH CAROLINA STATE UNIVERSITY 2002-07-23 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-20050014685-A1 New compound MAN2B1, MAN2A1, MANBA HDAC3 1497/4885HDAC8 1977/4885SMYD3 3256/4885

“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.