SCHEMBL3060416

SCHEMBL3060416

O=C(Nc1ccc(Oc2cccc3c2CCN3CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
FAAH O00519 5/20 0.43
LMNA P02545 4/20 0.42
CYP3A4 P08684 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL3065125 0.90 FAAH (0.43) KMT2AHPGDALDH1A1MAPK1FAAH
SCHEMBL3061112 0.88 MEN1 (0.48) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL3052257 0.87 FAAH (0.44) HPGDMAPK1FAAHLMNACYP3A4
SCHEMBL3061620 0.86 KDM4E (0.47) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL3056414 0.85 MEN1 (0.48) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL3055931 0.84 KDM4E (0.48) MEN1KMT2AALDH1A1FAAHLMNA
SCHEMBL3065128 0.84 FAAH (0.43) MEN1KMT2AALDH1A1FAAHLMNA
SCHEMBL3047408 0.84 TDP1 (0.47) MEN1KMT2AALDH1A1FAAHLMNA
SCHEMBL3051209 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL3147389 0.83 MEN1 (0.57) MEN1KMT2AHPGDALDH1A1MAPK1

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 MEN1 275/4885KMT2A 2904/4885HPGD 263/4885

“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.