SCHEMBL13780280

SCHEMBL13780280

O=[N+]([O-])c1cc2nc(Cl)nc(NCc3ccc(Cl)cc3Cl)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL13780252 0.81 HPGD (0.41) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL4205150 0.77 KMT2A (0.48) PRKCQNPC1RAB9AMEN1KMT2A
SCHEMBL13780267 0.77 EGFR (0.44) PRKCQNPC1RAB9AMEN1KMT2A
SCHEMBL4208839 0.76 PDE4A (0.41) NPC1RAB9AHPGDNPSR1
SCHEMBL1513210 0.72 MAPT (0.56) PRKCQNPC1RAB9AHPGDNPSR1
SCHEMBL13780251 0.70 APP (0.63) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL13780250 0.68 HDAC1 (0.41) MEN1KMT2AHPGDNPSR1SMN1; SMN2
SCHEMBL4206499 0.67 PDE2A (0.42) MEN1KMT2AHPGDNPSR1LMNA
SCHEMBL13777965 0.66 PDE2A (0.52) HPGDNPSR1MAPTSMN1; SMN2LMNA
SCHEMBL3847319 0.65 PRKCQ (0.60) PRKCQMEN1KMT2AMAPTL3MBTL1

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
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 PRKCQ 2361/4885NPC1 2092/4885RAB9A 3905/4885

“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.