SCHEMBL3772902

SCHEMBL3772902

COc1cc(C(=O)Nc2cccc(C(=O)N[C@H](C)c3cccc4ccccc34)c2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
ALDH1A1 P00352 2/20 0.56
SMO Q99835 4/20 0.54
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MCL1 Q07820 1/20 0.51
ATM Q13315 2/20 0.49
NPC1 O15118 1/20 0.48
NQO2 P16083 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL3768839 1.00 MEN1 (0.60) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL3770566 0.88 MEN1 (0.59) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL3768954 0.88 MEN1 (0.59) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL3802535 0.87 KMT2A (0.64) MEN1KMT2AROCK2ROCK1POLB
SCHEMBL3764349 0.87 KMT2A (0.64) MEN1KMT2AROCK2ROCK1POLB
SCHEMBL3770498 0.87 KMT2A (0.64) MEN1KMT2AROCK2ROCK1POLB
SCHEMBL3771503 0.81 RHOC (0.55) MEN1KMT2AMAPTRAB9A
SCHEMBL3764435 0.81 RHOC (0.55) MEN1KMT2AMAPTRAB9A
SCHEMBL3776657 0.79 KCNK3 (0.56)
SCHEMBL3766322 0.79 KCNK3 (0.56)

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.