SCHEMBL197910

SCHEMBL197910

Br[Ni]Br.C[Si](C)(C)c1ccc(-c2ccc([Si](C)(C)C)cn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
P4HA1 P13674 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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 0.91 CCR1 (0.48) CCR1CCR5CCR8HDAC6NR1H2
Bromide SCHEMBL197909 0.86 CCR1 (0.44) CCR1CCR5CCR8HDAC6NR1H2
SCHEMBL2991234 0.77 KDM4E (0.56) CCR1CCR5CCR8P4HTMMETAP2
SCHEMBL17589447 0.74 CCR1 (0.33) CCR1CCR5CCR8HDAC6
SCHEMBL29505097 0.74 LDHA (0.48)
SCHEMBL17780846 0.74 LDHA (0.48)
SCHEMBL196847 0.73 NR1H2 (0.42) CCR1CCR5CCR8HDAC6NR1H2
SCHEMBL26833223 0.72 KDM1A (0.47) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL4381210 0.71 CCR1 (0.44) CCR1CCR5CCR8HDAC6P4HA1
SCHEMBL4381430 0.71 CCR1 (0.44) CCR1CCR5CCR8HDAC6P4HA1

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-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 CCR1 510/4885CCR5 948/4885CCR8 2317/4885

“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.