SCHEMBL23767941

SCHEMBL23767941

C[Si]1(C)C2=CC(=[N+]3CCCCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.31
PSMB5 P28074 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LGMN Q99538 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
SCHEMBL23767943 0.94 PRKDC (0.33) PRKDCKDM4EALDH1A1CYP3A4MAPT
SCHEMBL23768004 0.92 PRKDC (0.31) PRKDC
SCHEMBL23768041 0.92 PDE3B (0.33)
SCHEMBL23768029 0.88 PRKDC (0.30) PRKDC
SCHEMBL23768025 0.88 MAPT (0.31) PRKDCMAPT
SCHEMBL23767820 0.88 PSMB5 (0.31) PRKDCPSMB5
SCHEMBL23767946 0.87 PRKDC (0.32) PRKDCKDM4EALDH1A1MAPTHPGD
SCHEMBL23767939 0.87
SCHEMBL23767895 0.86 MEN1 (0.30) ALDH1A1MAPTHPGD
SCHEMBL23767897 0.85 TMEM97 (0.32) PRKDCKDM4EALDH1A1MAPTHPGD

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 PRKDC 1574/4885PSMB5 4454/4885KDM4E 4221/4885

“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.