SCHEMBL3705350

SCHEMBL3705350

O=C(CBr)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.35
FAAH O00519 2/20 0.35
MEN1 O00255 1/20 0.35
ABHD16A O95870 1/20 0.35
PLA2G7 Q13093 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35

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
SCHEMBL8735537 0.94 HPGD (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15991350 0.90 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26382038 0.90 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17168743 0.90 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20999873 0.90 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17767812 0.90 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17767809 0.90 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21117960 0.89 SMN1; SMN2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL43231 0.88 HPGD (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13256493 0.88 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640727-B1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES GENENTECH INC (US) 2015-05-13 EP disclosed
EP-2640727-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES Genentech, Inc. (US) 2013-09-25 EP disclosed
WO-2012074757-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES GENENTECH, INC. (US) 2012-06-07 WO disclosed
US-20120121615-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES GENENTECH, INC. 2012-05-17 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-20120121615-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES MTX2, FOLH1, MGAT3 HDAC3 3665/4885HDAC4 3375/4885HDAC1 2332/4885

“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.