SCHEMBL1788511

SCHEMBL1788511

O=C(CC1CCCC1)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ KCNJ11 Q14654 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL30795479 1.00 ALDH1A1 (0.47) ALDH1A1KMT2ANPC1RAB9AEPHX2
SCHEMBL1791098 0.98 ALDH1A1 (0.45) ALDH1A1KMT2ANPC1RAB9AEPHX2
SCHEMBL30795926 0.98 ALDH1A1 (0.45) ALDH1A1KMT2ANPC1RAB9AEPHX2
SCHEMBL30795801 0.88 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1RAB9AEPHX2
SCHEMBL1786371 0.88 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1RAB9AEPHX2
SCHEMBL1791096 0.81 HPGD (0.41) ALDH1A1KMT2ANPC1RAB9AHPGD
SCHEMBL1791097 0.81 HPGD (0.41) ALDH1A1KMT2ANPC1RAB9AHPGD
SCHEMBL1789193 0.81 MEN1 (0.45) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL30814174 0.81 MEN1 (0.45) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL1789475 0.80 POLB (0.46) ALDH1A1KMT2ANPC1RAB9AKCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US claimed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP claimed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 ALDH1A1 1644/4885KMT2A 474/4885NPC1 326/4885

“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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