SCHEMBL3052158

SCHEMBL3052158

CCOc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ncc(NC(=O)c6ccc(Cl)c(Cl)c6)cn5)ccc4n3C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PIK3CA P42336 1/20 0.45
PRKAA2 P54646 1/20 0.45
LMNA P02545 3/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
STAT3 P40763 11/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
Bromide SCHEMBL3053365 0.91 PRKAA2 (0.47) SMN1; SMN2MAPTPLA2G1BCYP1A2CYP3A4
SCHEMBL3064793 0.88 DRD2 (0.41) MAPTSTAT3MAPK1KDM4ELGALS8
SCHEMBL3709922 0.86 PIK3CA (0.46) PIK3CAPRKAA2STAT3
Bromide SCHEMBL3068012 0.86 PRKAA2 (0.46) PIK3CAPRKAA2STAT3
Bromide SCHEMBL3065325 0.86 PIK3CA (0.46) PIK3CAPRKAA2STAT3
Bromide SCHEMBL3067536 0.85 FAAH (0.44) SMN1; SMN2MAPTPLA2G1BCYP1A2CYP3A4
SCHEMBL3068789 0.85 LGALS8 (0.41) MAPTLMNALGALS8LGALS3
Bromide SCHEMBL3051765 0.85 STAT3 (0.49) PIK3CAPRKAA2STAT3
SCHEMBL3054740 0.84 LGALS8 (0.39) SMN1; SMN2MAPTLMNALGALS8LGALS3
Bromide SCHEMBL3057052 0.84 PRKAA2 (0.52) PIK3CAPRKAA2STAT3

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP 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 SMN1; SMN2 3814/4885MAPT 4138/4885PLA2G1B 3422/4885

“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.