SCHEMBL3770566

SCHEMBL3770566

COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc3ccccc23)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 2/20 0.56
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
STK39 Q9UEW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3768954 1.00 MEN1 (0.59) MEN1KMT2AROCK2ROCK1KCNK3
SCHEMBL3802535 0.91 KMT2A (0.64) MEN1KMT2AROCK2ROCK1KCNK3
SCHEMBL3764349 0.91 KMT2A (0.64) MEN1KMT2AROCK2ROCK1KCNK3
SCHEMBL3770498 0.91 KMT2A (0.64) MEN1KMT2AROCK2ROCK1KCNK3
SCHEMBL3768839 0.88 MEN1 (0.60) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL3772902 0.88 MEN1 (0.60) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL3778219 0.85 PTGES (0.53) LMNAGAA
SCHEMBL3766334 0.85 PTGES (0.53) LMNAGAA
SCHEMBL3772588 0.83 MEN1 (0.53) MEN1KMT2AROCK2ROCK1KCNK3
SCHEMBL3766322 0.81 KCNK3 (0.56) KCNK3KCNK9

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
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 MEN1 668/4885KMT2A 4126/4885ROCK2 4006/4885

“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.