SCHEMBL3154087

SCHEMBL3154087

N#Cc1cccc([O])c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ BCAT1 P54687 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ EGLN2 Q96KS0 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32

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
SCHEMBL1533157 0.83 TSHR (0.46) CA1CA2NOTUMTSHRMCL1
SCHEMBL10416688 0.79 TRPV4 (0.39) NOTUMTSHRMCL1EGLN2TRPV4
SCHEMBL30443847 0.76 BCAT1 (0.49) CA1CA2NOTUMTSHRMCL1
Water SCHEMBL28049227 0.76 BCAT1 (0.49) CA1CA2NOTUMTSHRMCL1
SCHEMBL158537 0.76 BCAT1 (0.49) CA1CA2NOTUMTSHRMCL1
SCHEMBL239275 0.75 — —
Benzene SCHEMBL28603062 0.74 BCAT1 (0.47) CA1CA2NOTUMTSHRMCL1
SCHEMBL3026903 0.74 CA1 (0.41) CA1CA2NOTUMTSHRMCL1
SCHEMBL289994 0.74 SOS1 (0.36) CA1CA2NOTUMTSHRMCL1
SCHEMBL30881883 0.74 SOS1 (0.36) CA1CA2NOTUMTSHRMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 — — US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 — — US disclosed
US-20150037667-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND SECONDARY BATTERY USING SAME NEC CORPORATION (JP) 2015-02-05 — — US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 — — US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 — — US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 — — US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 — — EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 — — EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 — — 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 CA1 1063/4885CA2 169/4885NOTUM 2496/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CA1 1063/4885CA2 169/4885NOTUM 2496/4885

“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.

Send feedback