SCHEMBL13721087

SCHEMBL13721087

O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(Sc2ccc(Br)cc2)c2ccccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL13721089 1.00 ALDH1A1 (0.41) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL13720341 0.93 ALDH1A1 (0.41) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL13720343 0.93 ALDH1A1 (0.41) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL1786888 0.85 ALDH1A1 (0.43) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL1786886 0.85 ALDH1A1 (0.43) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL13721689 0.82 ALDH1A1 (0.42) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL13721688 0.82 ALDH1A1 (0.42) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL13721013 0.81 ALDH1A1 (0.40) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL13721012 0.81 ALDH1A1 (0.40) ALDH1A1HTTRAB9AMAPTHPGD
SCHEMBL13720768 0.79 POLB (0.45) ALDH1A1HTTRAB9AMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 ALDH1A1 743/4885HTT 2126/4885RAB9A 1391/4885

“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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