SCHEMBL16628485

SCHEMBL16628485

NCCNc1nc(NCCC[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)nc(NCCC[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.40
BCDIN3D Q7Z5W3 2/20 0.38
NPY1R P25929 1/20 0.38
NPY5R Q15761 1/20 0.38
HTR7 P34969 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
STK17A Q9UEE5 2/20 0.36
STK17B O94768 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL6694296 0.78 DRD2 (0.43) RECQLCA12CA1CA2CA9
SCHEMBL305461 0.77 TAAR1 (0.43)
SCHEMBL16628661 0.75 HTR7 (0.38) KCNH3BCDIN3DHTR7ADRA1DADRA1A
SCHEMBL25172142 0.74 CYP1A2 (0.39) KCNH3BCDIN3DSTK17ACA12CA1
SCHEMBL6698560 0.73 TAAR1 (0.46)
SCHEMBL706489 0.73 KCNA3 (0.44) RECQL
SCHEMBL329378 0.73 KCNA3 (0.44) RECQL
SCHEMBL16628597 0.72 KCNH3 (0.33) KCNH3CA12CA1CA2CA9
SCHEMBL16628588 0.72 KCNH3 (0.33) KCNH3CA12CA1CA2CA9
SCHEMBL16628540 0.71 CA12 (0.32) KCNH3HTR7CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP claimed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US claimed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US claimed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 EP claimed
US-11440304-B2 Laminate and its production method AGC Inc. (JP) 2022-09-13 US disclosed
EP-3505522-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2020-10-14 EP disclosed
US-20200164625-A1 LAMINATE AND ITS PRODUCTION METHOD AGC Inc. (JP) 2020-05-28 US disclosed
US-10385076-B2 Surface treatment agent and novel compound Mori, Kunio (JP) 2019-08-20 US disclosed
EP-3505522-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2019-07-03 EP disclosed
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP disclosed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US disclosed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 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 (3 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET KCNH3 1502/4885BCDIN3D 1902/4885NPY1R 4094/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM KCNH3 1879/4885BCDIN3D 2330/4885NPY1R 4474/4885
US-10385076-B2 Surface treatment agent and novel compound EPCAM, MET, ITGAM KCNH3 1879/4885BCDIN3D 2330/4885NPY1R 4474/4885

“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.