SCHEMBL9913739

SCHEMBL9913739

CCCCNc1nc(NCCCC)nc(Nc2ccccc2)n1

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 13/20 0.90
RECQL P46063 1/20 0.65
MCL1 Q07820 1/20 0.65
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62

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
SCHEMBL12732294 1.00 KCNH3 (0.90) KCNH3RECQLMCL1CA1CA2
SCHEMBL12445538 0.87 KCNH3 (0.83) KCNH3RECQLMCL1CA1CA2
SCHEMBL16361226 0.85 KCNH3 (0.81) KCNH3RECQLMCL1CA1CA2
SCHEMBL27344687 0.84 KCNH3 (0.79) KCNH3RECQLMCL1
SCHEMBL29561075 0.83 KCNH3 (0.64) KCNH3RECQLMCL1CA1CA2
SCHEMBL15094204 0.83 KCNH3 (0.64) KCNH3CA1CA2CA9
SCHEMBL15094945 0.83 KCNH3 (0.64) KCNH3RECQLMCL1CA1CA2
SCHEMBL13581628 0.83 KCNH3 (0.64) KCNH3RECQLMCL1CA1CA2
SCHEMBL3300123 0.83 KCNH3 (0.97) KCNH3RECQLMCL1
SCHEMBL6235017 0.82 NR1I2 (0.78) KCNH3RECQLMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
EP-2078715-A1 PROTON CONDUCTING COMPOUND AND PROTON CONDUCTING POLYMER Nippon Steel Chemical Co., Ltd. (JP) 2009-07-15 EP 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 KCNH3 49/4885RECQL 763/4885MCL1 2141/4885

“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.