SCHEMBL13780274

SCHEMBL13780274

COC(=O)c1ccc2nc(Cl)nc(NCc3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CNR1 P21554 2/20 0.44
CTNNB1 P35222 4/20 0.43
TCF7L2 Q9NQB0 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR2 P34972 1/20 0.42
TP53 P04637 1/20 0.41
CD38 P28907 1/20 0.40
CCR4 P51679 1/20 0.39
PLA2G2A P14555 1/20 0.39
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7254637 0.84 CNR1 (0.58) NPSR1CNR1CTNNB1TCF7L2CNR2
SCHEMBL7254554 0.77 CNR1 (0.56) NPSR1CNR1CTNNB1TCF7L2CNR2
SCHEMBL13780251 0.77 APP (0.63) HPGDNPSR1CTNNB1TCF7L2LMNA
SCHEMBL4205150 0.76 KMT2A (0.48) NPC1MAPTRAB9A
SCHEMBL6306174 0.74 HDAC1 (0.57) HPGDNPSR1LMNAMAPK1NLRP1
SCHEMBL7254764 0.74 CNR1 (0.57) CNR1CTNNB1TCF7L2ALDH1A1
SCHEMBL25251658 0.74 TP53 (0.50) LMNAMAPK1TP53NPC1MAPT
SCHEMBL7260501 0.72 CTNNB1 (0.65) CNR1CTNNB1TCF7L2
SCHEMBL25293955 0.71 HTT (0.51) HPGDNPSR1LMNAMAPK1TP53
SCHEMBL13777960 0.71 HPGD (0.46) HPGDNPSR1CNR1LMNAMAPK1

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 HPGD 1929/4885NPSR1 2574/4885CNR1 98/4885

“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.