SCHEMBL4213047

SCHEMBL4213047

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GALR2 O43603 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TXNRD1 Q16881 2/20 0.32
▸ TXNRD3 Q86VQ6 2/20 0.32
▸ TXNRD2 Q9NNW7 2/20 0.32
▸ MITF O75030 1/20 0.31
▸ STAT3 P40763 2/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL2537095 0.69 PKM (0.34) SMN1; SMN2NPSR1
SCHEMBL5850870 0.66 PDE4B (0.36) ALDH1A1
SCHEMBL4211267 0.66 HSP90AA1 (0.37) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL11198249 0.64 ALDH1A1 (0.44) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL26616704 0.63 GPR35 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2NPSR1
SCHEMBL3633581 0.63 MEN1 (0.37) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL10479999 0.59 MAPT (0.40) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL19585417 0.59 DYRK1A (0.49) ALDH1A1HPGDSMN1; SMN2KMT2APOLB
Dnqx SCHEMBL1258964 0.58 POLB (0.57) ALDH1A1MAPTHPGDSMN1; SMN2GALR2
SCHEMBL27735366 0.57 CA1 (0.40) ALDH1A1MAPTHTTHPGDSMN1; SMN2

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 5 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
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
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 ALDH1A1 1767/4885MAPT 4753/4885HTT 3925/4885

“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.

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