SCHEMBL13720799

SCHEMBL13720799

CC(C)(C)NC(=O)c1nn(NC(=O)CC2CC3CCC2C3)c(=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ BRS3 P32247 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13720768 0.86 POLB (0.45) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL13720461 0.86 LMNA (0.40) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL13720980 0.85 HPGD (0.40) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL1787612 0.84 HPGD (0.41) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL1787613 0.84 HPGD (0.41) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL13720758 0.83 ALDH1A1 (0.41) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL13720760 0.83 ALDH1A1 (0.41) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL13720866 0.83 ABCB1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL13721374 0.81 ALDH1A1 (0.40) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL13721377 0.81 ALDH1A1 (0.40) ALDH1A1HPGDLMNAHTTRAB9A

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 6 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
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO 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 ALDH1A1 743/4885HPGD 1562/4885LMNA 1022/4885

“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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