SCHEMBL2224362

SCHEMBL2224362

CCN(Cc1cnc(CN2CCN(c3nccc(C(C)C)c3C(=O)O)CC2)cn1)Cc1c(F)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR6 P46095 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 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
SCHEMBL14632732 0.92 ALDH1A1 (0.36) ALDH1A1ALOX15TDP1TSHRKDM4E
Hydrochloric Acid SCHEMBL14632928 0.91 ALDH1A1 (0.35) ALDH1A1ALOX15TDP1TSHRKDM4E
Hydrochloric Acid SCHEMBL2225850 0.91 ALDH1A1 (0.35) ALDH1A1ALOX15TDP1TSHRKDM4E
Water SCHEMBL2273702 0.89 ALDH1A1 (0.38) ALDH1A1ALOX15TDP1TSHRKDM4E
SCHEMBL2222790 0.88 NPC1 (0.38) ALDH1A1ALOX15TDP1TSHRKDM4E
SCHEMBL2225709 0.85 KDM4E (0.42) ALDH1A1ALOX15TDP1KDM4ESMN1; SMN2
SCHEMBL2223101 0.84 MEN1 (0.36) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2225848 0.84 L3MBTL1 (0.40) ALDH1A1ALOX15TDP1KDM4EPOLB
SCHEMBL2224687 0.82 ALDH1A1 (0.38) ALDH1A1ALOX15TDP1TSHRKDM4E
SCHEMBL2222911 0.81 KDM4E (0.49) ALDH1A1ALOX15TDP1TSHRKDM4E

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
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B ALDH1A1 2656/4885ALOX15 2973/4885TDP1 4635/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 ALDH1A1 2495/4885ALOX15 2456/4885TDP1 4465/4885

“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.