SCHEMBL3262128

SCHEMBL3262128

Fc1ccccc1CN1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.96
CYP2A13 Q16696 1/20 0.70
POLB P06746 3/20 0.60
KDM4E B2RXH2 8/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 4/20 0.58
ATM Q13315 2/20 0.58
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
CHRNA7 P36544 1/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH3A1 P30838 1/20 0.50

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
SCHEMBL807350 0.98 ALDH1A1 (1.00) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7409874 0.96 ALDH1A1 (0.96) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL23850789 0.94 ALDH1A1 (0.85) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2
SCHEMBL16226380 0.91 ALDH1A1 (0.81) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2
SCHEMBL14614566 0.84 ALDH1A1 (0.70) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2
SCHEMBL2096803 0.84 ALDH1A1 (0.70) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2
SCHEMBL11196594 0.84 ALDH1A1 (0.69) ALDH1A1POLBKDM4ESMN1; SMN2KMT2A
SCHEMBL6803849 0.84 ALDH1A1 (0.70) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2
SCHEMBL8803732 0.84 ALDH1A1 (0.70) ALDH1A1CYP2A13POLBKDM4EKMT2A
SCHEMBL7424299 0.83 ALDH1A1 (0.68) ALDH1A1CYP2A13POLBKDM4ESMN1; SMN2

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
WO-2020047312-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed
CN-106661017-B Bicyclic or tricyclic heterocyclic compounds 田边三菱制药株式会社 2019-09-24 CN disclosed
WO-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO 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
US-4853470-A 3-(piperidinyl)- and 3-(pyrrolidinyl)-1H-indazoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-08-01 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 (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 ALDH1A1 3113/4885CYP2A13 3240/4885POLB 4435/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 ALDH1A1 3113/4885CYP2A13 3240/4885POLB 4435/4885

“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.