SCHEMBL4383071

SCHEMBL4383071

CCCC[Si](Br)(CCCC)c1ccc(-c2ccc([Si](Br)(CCCC)CCCC)cn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AR P10275 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL706471 0.82 AR (0.41) ARNR1H2NR1H3
SCHEMBL706939 0.72 TSHR (0.36) SMN1; SMN2ARMAPTPOLBALDH1A1
SCHEMBL4379936 0.71 RAB9A (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL706935 0.69 NR1H2 (0.43) ARNR1H2NR1H3
SCHEMBL706175 0.68 ESR1 (0.38) ARNR1H2NR1H3
SCHEMBL18108194 0.68 KCNH2 (0.41) SMN1; SMN2MAPK1TP53ALDH1A1HTT
SCHEMBL18108207 0.68 KCNH2 (0.41) SMN1; SMN2MAPK1TP53ALDH1A1HTT
SCHEMBL18108251 0.65 KCNH2 (0.42) SMN1; SMN2MAPK1TP53ALDH1A1HTT
SCHEMBL18108052 0.65 KCNH2 (0.42) SMN1; SMN2MAPK1TP53ALDH1A1HTT
SCHEMBL18108163 0.65 KCNH2 (0.42) SMN1; SMN2MAPK1TP53ALDH1A1HTT

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 RAB9A 2346/4885NPC1 1938/4885SMN1; SMN2 4307/4885

“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.