SCHEMBL9926762

SCHEMBL9926762

O=C(ON1C(=O)CCC1=O)C(S)CCSSc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.39
HDAC2 Q92769 13/20 0.39
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21549697 0.93 HDAC1 (0.36) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL21549646 0.90 HDAC1 (0.35) HDAC1HDAC2ALDH1A1LMNAHDAC4
SCHEMBL18726574 0.84 HDAC1 (0.37) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL4348222 0.84 HDAC1 (0.39) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL29353376 0.84 HDAC1 (0.37) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL574827 0.84 HDAC1 (0.37) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL31005440 0.84 HDAC1 (0.39) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL9904994 0.83 HDAC1 (0.36) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL27076397 0.81 HDAC1 (0.37) HDAC1HDAC2ALDH1A1LMNAEHMT2
SCHEMBL42368 0.81 ALDH1A1 (0.44) HDAC1HDAC2ALDH1A1LMNAEHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2012-06-28 US disclosed
WO-2012078868-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2012-06-14 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-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS HDAC1 1195/4885HDAC2 1161/4885ALDH1A1 1316/4885

“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.