SCHEMBL23767986

SCHEMBL23767986

O=C1C=CC2=Nc3ccc(N4CCOCC4)cc3[Si](c3ccccc3)(c3ccccc3)C2=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
PRKDC P78527 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
ADRA2C P18825 1/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL23768000 0.89 PDE3B (0.35) ALDH1A1SMN1; SMN2LMNATSHRMAPT
SCHEMBL23767889 0.88 TDO2 (0.36) TDO2IDO2ADORA2AADORA1ALDH1A1
SCHEMBL23768073 0.86 PIK3CA (0.34) TDO2IDO2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23767896 0.85 TMEM97 (0.33) TDO2IDO2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23768044 0.84 SIGMAR1 (0.34) TDO2IDO2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23767897 0.84 TMEM97 (0.32) TDO2IDO2ALDH1A1LMNAPRKDC
SCHEMBL22972949 0.83 PRKDC (0.36) TDO2IDO2ADORA2AADORA1ALDH1A1
SCHEMBL23767774 0.80 PRKDC (0.34) TDO2IDO2ADORA2AADORA1ALDH1A1
SCHEMBL23767912 0.80 PRKDC (0.34) ADORA2AADORA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL23767780 0.80 PDE3B (0.35) TDO2IDO2ADORA2AADORA1ALDH1A1

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 TDO2 221/4885IDO2 786/4885ADORA2A 4084/4885

“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.