SCHEMBL13777948

SCHEMBL13777948

Cc1csc2nc(Cl)nc(NCc3ccc(Cl)cc3Cl)c12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.61
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CD38 P28907 1/20 0.37
CCR4 P51679 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL3339118 0.83 LMNA (0.50) ESR1HPGDNPSR1HDAC1HDAC8
SCHEMBL13780250 0.81 HDAC1 (0.41) ESR1HPGDNPSR1HDAC1HDAC8
SCHEMBL13780228 0.81 CCR4 (0.41) ESR1CCR4
SCHEMBL13778094 0.81 HDAC1 (0.43) ESR1HPGDNPSR1HDAC1HDAC8
SCHEMBL5128688 0.80 ESR1 (0.72) ESR1CD38
SCHEMBL5130016 0.78 ESR1 (0.77) ESR1
SCHEMBL5118181 0.76 ESR1 (0.78) ESR1HPGDNPSR1MEN1KMT2A
SCHEMBL5127759 0.75 ESR1 (0.65) ESR1
SCHEMBL21214764 0.75 HPGD (0.45) HPGDNPSR1HDAC1HDAC8HDAC6
SCHEMBL5119056 0.74 ESR1 (0.64) ESR1HPGDNPSR1MEN1KMT2A

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 6 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
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 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 (2 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 ESR1 879/4885HPGD 1929/4885NPSR1 2574/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 ESR1 488/4885HPGD 2189/4885NPSR1 1489/4885

“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.