SCHEMBL5458935

SCHEMBL5458935

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL5445292 0.92 TSHR (0.45) GAAALOX15TSHRMAPTKMT2A
SCHEMBL5454884 0.91 ALDH1A1 (0.45) GAAALOX15TSHRMAPTKMT2A
SCHEMBL5452778 0.90 CA1 (0.43) GAAALOX15MAPTKMT2ANPC1
SCHEMBL5459211 0.90 ALDH1A1 (0.52) GAAALOX15TSHRMAPTKMT2A
SCHEMBL5452471 0.90 MAPT (0.40) GAAALOX15TSHRMAPTKMT2A
SCHEMBL5454876 0.88 HTR6 (0.43) GAAALOX15MAPTKMT2ANPC1
SCHEMBL5452310 0.88 MAPT (0.45) MAPTKMT2ANPC1ABCB1ABCC1
SCHEMBL5448382 0.88 ALDH1A1 (0.49) GAATSHRMAPTKMT2ANPC1
SCHEMBL5448663 0.88 ALDH1A1 (0.51) GAATSHRMAPTKMT2ANPC1
SCHEMBL5452488 0.87 LMNA (0.42) GAAALOX15MAPTKMT2ANPC1

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 GAA 639/4885ALOX15 1841/4885TSHR 1155/4885

“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.