SCHEMBL23767978

SCHEMBL23767978

CCC[Si]1(C)C2=CC(=[N+](CC)CC)C=CC2=Nc2ccc(N(CC)CC)cc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
NSD2 O96028 1/20 0.36
G6PD P11413 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL23767977 0.91
SCHEMBL23767807 0.91
SCHEMBL23767981 0.87 HSP90AA1 (0.38) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL23768180 0.87 HSP90AA1 (0.34) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL23767962 0.85 TERT (0.31)
SCHEMBL23767970 0.84 HSP90AA1 (0.38) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL23767968 0.83 HSP90AA1 (0.37) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL23767969 0.82 HSP90AA1 (0.39) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL23767980 0.82 TDP1 (0.39) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL23768002 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252152-A1 NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS ORTA DOGU TEKNIK UNIVERSITESI (TR) 2021-08-19 US 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-20210252152-A1 NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS PPIF, MT-ND2, PPOX HSP90AA1 477/4885NSD2 2106/4885G6PD 668/4885

“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.