SCHEMBL3103447

SCHEMBL3103447

COc1c([O])cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
KRAS P01116 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NFE2L2 Q16236 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL475141 0.83 ALDH1A1 (0.46) KMT2AKRASSMN1; SMN2ALDH1A1MAPK1
SCHEMBL10336282 0.76 ALDH1A1 (0.40) KMT2AKRASSMN1; SMN2ALDH1A1MAPK1
SCHEMBL256845 0.74 ACHE (0.50) KMT2AKRASSMN1; SMN2ALDH1A1MAPK1
SCHEMBL1627720 0.74 NFE2L2 (0.50) KMT2AKRASSMN1; SMN2ALDH1A1MAPK1
SCHEMBL29669870 0.74 NFE2L2 (0.50) KMT2AKRASSMN1; SMN2ALDH1A1MAPK1
SCHEMBL1047908 0.74 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2ALDH1A1MAPK1KDM4E
SCHEMBL27671057 0.74 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPK1KDM4ECA1
SCHEMBL24312388 0.74 KDM4E (0.38) KMT2AKRASSMN1; SMN2ALDH1A1MAPK1
SCHEMBL12648278 0.74 SLC6A2 (0.43) KMT2AKRASALDH1A1MAPK1RAB9A
SCHEMBL12781802 0.74 GABRA1 (0.41) KMT2ACA1CA2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 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 (2 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KMT2A 1920/4885KRAS 3217/4885SMN1; SMN2 445/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KMT2A 1920/4885KRAS 3217/4885SMN1; SMN2 445/4885

“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.