SCHEMBL5464263

SCHEMBL5464263

COc1ccc(Br)c2c1CCN(C(=O)Cc1ccc(C(C)C)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ ABCC1 P33527 1/20 0.45
▸ PTGDR2 Q9Y5Y4 11/20 0.43
▸ PANK3 Q9H999 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL5454941 0.86 NPC1 (0.47) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5452220 0.85 NPC1 (0.44) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5465878 0.83 MAPT (0.45) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5446440 0.83 HTR6 (0.43) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5454152 0.82 MAPT (0.47) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5457361 0.82 PTGDR2 (0.53) ABCB1ABCC1PTGDR2
SCHEMBL5466142 0.80 PTGDR2 (0.46) PTGDR2
SCHEMBL5455286 0.79 PTGDR2 (0.40) NPC1KMT2AABCB1ABCC1PTGDR2
SCHEMBL5449739 0.79 NPC1 (0.45) NPC1KMT2APTGDR2
SCHEMBL5455136 0.74 NPC1 (0.49) NPC1KMT2AABCB1ABCC1PTGDR2

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
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 HDAC1 676/4885HDAC6 978/4885NPC1 1664/4885

“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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