SCHEMBL5459211

SCHEMBL5459211

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.44
HTT P42858 3/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
CXCR4 P61073 2/20 0.42
LMNA P02545 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5456768 0.91 KMT2A (0.45) ALDH1A1HPGDKMT2ANPC1MEN1
SCHEMBL5446219 0.91 KMT2A (0.45) ALDH1A1HPGDKMT2ANPC1MEN1
SCHEMBL5445292 0.91 TSHR (0.45) ALDH1A1HPGDKMT2ANPC1MEN1
SCHEMBL5458935 0.90 GAA (0.43) ALDH1A1KMT2ANPC1TSHRGAA
SCHEMBL5458214 0.90 LMNA (0.50) ALDH1A1HPGDKMT2ANPC1MEN1
SCHEMBL5445015 0.89 NPC1 (0.58) KMT2ANPC1ALOX15TMEM97SIGMAR1
SCHEMBL5451031 0.88 ALDH1A1 (0.42) ALDH1A1HPGDKMT2ANPC1MEN1
SCHEMBL5446453 0.87 NPC1 (0.51) ALDH1A1KMT2ANPC1TMEM97SIGMAR1
SCHEMBL5454884 0.86 ALDH1A1 (0.45) ALDH1A1HPGDKMT2ANPC1MEN1
SCHEMBL5465837 0.86 USP2 (0.49) ALDH1A1HPGDKMT2ANPC1MEN1

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 ALDH1A1 816/4885HPGD 918/4885KMT2A 1271/4885

“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.