SCHEMBL405697

SCHEMBL405697

CC(C)CCCCSSc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
HDAC1 Q13547 15/20 0.46
HDAC2 Q92769 13/20 0.46
GRM2 Q14416 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18519770 0.95 EHMT2 (0.50) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL14868086 0.89 EHMT2 (0.53) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL20648097 0.88 EHMT2 (0.46) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL11822538 0.87 EHMT2 (0.64) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL2607950 0.85 HDAC1 (0.45) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL11835311 0.85 EHMT2 (0.61) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL12584040 0.85 EHMT2 (0.61) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL11834639 0.85 EHMT2 (0.61) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL11821186 0.85 EHMT2 (0.61) EHMT2EHMT1APOBEC3GHDAC1HDAC2
SCHEMBL11834472 0.85 EHMT2 (0.61) EHMT2EHMT1APOBEC3GHDAC1HDAC2

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
EP-3428147-A1 POLYETHYLENE GLYCOL DERIVATIVE AND USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2019-01-16 EP disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 US disclosed
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 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-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 EHMT2 4613/4885EHMT1 4652/4885APOBEC3G 4294/4885

“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.