SCHEMBL1946529

SCHEMBL1946529

O=C(NCc1ccccc1)Nc1ccc2c(c1)CCN(C(=O)NCc1ccccc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 4/20 0.70
KCNAB1 Q14722 4/20 0.70
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
NAMPT P43490 2/20 0.53
GSK3B P49841 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
NPC1 O15118 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.50
TMPRSS2 O15393 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
IMPDH2 P12268 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL12540372 0.89 KCNA1 (0.66) KCNA1KCNAB1KMT2AMEN1NPC1
SCHEMBL1945844 0.83 KCNA1 (0.86) KCNA1KCNAB1CA12CA1CA2
SCHEMBL1949184 0.79 KCNA1 (0.88) KCNA1KCNAB1NAMPTKMT2AMEN1
SCHEMBL27196377 0.75 POLB (0.70) KMT2AMEN1NPC1TDP1KDM4E
SCHEMBL6392375 0.75 KMT2A (0.61) KCNA1KCNAB1NAMPTKMT2AMEN1
SCHEMBL1028559 0.73 KMT2A (0.59) NAMPTKMT2AMEN1NPC1TDP1
SCHEMBL1945684 0.73 KCNA1 (0.80) KCNA1KCNAB1CA12CA1CA2
SCHEMBL5800630 0.73 KDM4E (0.69) KMT2AMEN1KDM4ENPSR1HRH3
SCHEMBL4197501 0.73 KDM4E (0.69) KMT2AMEN1KDM4ENPSR1HRH3
SCHEMBL20804368 0.73 NPC1 (0.65) CA12CA1CA2CA9GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US claimed
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 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 (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-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A KCNA1 167/4885KCNAB1 98/4885CA12 1814/4885

“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.