SCHEMBL13121327

SCHEMBL13121327

CC(=O)N[C@H](C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 1/20 0.50
MC4R P32245 10/20 0.48
TSLP Q969D9 3/20 0.47
MC3R P41968 3/20 0.47
MC1R Q01726 3/20 0.47
KLKB1 P03952 1/20 0.47
MC5R P33032 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL12706701 1.00 MEN1 (0.50) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL12971683 0.92 MEN1 (0.58) MEN1KMT2AMC4RMC3RMC1R
SCHEMBL13478113 0.92 KLKB1 (0.48) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL13478174 0.92 KLKB1 (0.48) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL12971678 0.92 MEN1 (0.57) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL12971639 0.92 MEN1 (0.57) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL13121224 0.92 MEN1 (0.57) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL14401701 0.92 MEN1 (0.57) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL14401768 0.92 MEN1 (0.57) MEN1KMT2AMC4RTSLPMC3R
SCHEMBL12728013 0.92 MEN1 (0.57) MEN1KMT2AMC4RTSLPMC3R

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-20100267639-A1 TREATMENT OF OSTEOARTHRITIS PROMICS PTY LIMITED (AU) 2010-10-21 US disclosed
US-20100267639-A1 TREATMENT OF OSTEOARTHRITIS PROMICS PTY LIMITED (AU) 2010-10-21 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-20100267639-A1 TREATMENT OF OSTEOARTHRITIS C5AR2, C5AR1, C3AR1 MEN1 3074/4885KMT2A 3986/4885MC4R 192/4885

“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.