SCHEMBL13720796

SCHEMBL13720796

O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(N2CCS(=O)(=O)CC2)c2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTR1A P08908 4/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ENPP1 P22413 1/20 0.34

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
SCHEMBL13720797 1.00 HPGD (0.39) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720802 0.93 HPGD (0.39) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720891 0.90 HPGD (0.41) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720892 0.90 HPGD (0.41) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720975 0.89 RAB9A (0.42) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720976 0.89 RAB9A (0.42) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13721153 0.88 HPGD (0.41) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720402 0.88 HPGD (0.41) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13720400 0.88 HPGD (0.41) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL13721154 0.88 HPGD (0.41) HPGDALDH1A1HTTRAB9AMAPT

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-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
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO 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 HPGD 1562/4885ALDH1A1 743/4885HTT 2126/4885

“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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