SCHEMBL4381430

SCHEMBL4381430

C[Si](C)(S)c1ccc(-c2ccc([Si](C)(C)S)cn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
P4HA1 P13674 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
METAP2 P50579 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
SCHEMBL195553 0.79 CCR1 (0.48) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL4381210 0.75 CCR1 (0.44) CCR1CCR5CCR8HDAC6P4HA1
Bromide SCHEMBL197909 0.75 CCR1 (0.44) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL197910 0.71 CCR1 (0.41) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL196847 0.71 NR1H2 (0.42) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL197285 0.70 CCR1 (0.39) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL4383260 0.70 NR1H2 (0.43) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL198141 0.70 ESR1 (0.54) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL29664590 0.68 CCR1 (0.42) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL2991234 0.67 KDM4E (0.56) CCR1CCR5CCR8P4HTMMETAP2

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-8084608-B2 2,2′ -bipyridine derivative having a reactive silyl group, its production method, and transition metal complex SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-03 US disclosed
EP-2128165-A1 2, 2´-bipyridine derivatives having reactive silyl group, production methods, transition metal complexes thereof Shin-Etsu Chemical Co., Ltd. (JP) 2009-12-02 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-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX CBR3, TST, HRH3 CCR1 380/4885CCR5 272/4885CCR8 1295/4885

“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.