SCHEMBL5456768

SCHEMBL5456768

CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)N2CCc3c(OC)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
TAS2R14 Q9NYV8 3/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
RORC P51449 1/20 0.43
HTR7 P34969 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 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
SCHEMBL5454884 0.93 ALDH1A1 (0.45) KMT2ANPC1ALDH1A1LMNAKDM4E
SCHEMBL5459211 0.91 ALDH1A1 (0.52) KMT2ANPC1TAS2R14ALDH1A1LMNA
SCHEMBL5446219 0.89 KMT2A (0.45) KMT2ANPC1TAS2R14ALDH1A1LMNA
SCHEMBL5458929 0.88 ALDH1A1 (0.39) KMT2ANPC1TAS2R14ALDH1A1LMNA
SCHEMBL5452471 0.88 MAPT (0.40) KMT2ANPC1TAS2R14ALDH1A1LMNA
SCHEMBL5458214 0.88 LMNA (0.50) KMT2ANPC1ALDH1A1LMNAHTT
SCHEMBL5445292 0.87 TSHR (0.45) KMT2ANPC1ALDH1A1HTR7HPGD
SCHEMBL5445015 0.87 NPC1 (0.58) KMT2ANPC1KDM4ETMEM97SIGMAR1
SCHEMBL5458935 0.86 GAA (0.43) KMT2ANPC1ALDH1A1LMNAKDM4E
SCHEMBL5446453 0.85 NPC1 (0.51) KMT2ANPC1ALDH1A1TMEM97SIGMAR1

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-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
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 WO 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 KMT2A 1271/4885NPC1 1664/4885TAS2R14 315/4885

“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.