SCHEMBL5458214

SCHEMBL5458214

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.46
OXTR P30559 2/20 0.46
AVPR1A P37288 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
HPGD P15428 2/20 0.42
PTPN1 P18031 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL5459211 0.90 ALDH1A1 (0.52) LMNANPSR1KMT2ANPC1MAPT
SCHEMBL5446219 0.88 KMT2A (0.45) LMNANPSR1KMT2ANPC1MAPT
SCHEMBL5456768 0.88 KMT2A (0.45) LMNAKMT2ANPC1HTTMEN1
SCHEMBL5445015 0.87 NPC1 (0.58) KMT2ANPC1MAPTPTGDR2TMEM97
SCHEMBL5446453 0.85 NPC1 (0.51) KMT2ANPC1MAPTALDH1A1PTGDR2
SCHEMBL5458935 0.84 GAA (0.43) LMNAKMT2ANPC1MAPTTSHR
SCHEMBL5456729 0.84 KMT2A (0.48) KMT2ANPC1MAPTMEN1ALDH1A1
SCHEMBL5448482 0.83 HTR6 (0.56) LMNAPKMKMT2ANPC1MAPT
SCHEMBL5452310 0.83 MAPT (0.45) KMT2ANPC1MAPTPTGDR2TMEM97
SCHEMBL5446338 0.83 KMT2A (0.52) KMT2ANPC1MAPTMEN1PTGDR2

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-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A LMNA 1833/4885NPSR1 53/4885OXTR 282/4885

“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.