SCHEMBL6359199

SCHEMBL6359199

Cc1cc(OCCC[Si](C)(C)C)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 9/20 0.45
MAPT P10636 8/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL6161762 0.89 S1PR4 (0.44) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL6361283 0.83 S1PR4 (0.40) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL3168592 0.82 S1PR4 (0.51) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL27625069 0.82 S1PR4 (0.48) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL3211767 0.81 MAPT (0.35) S1PR4MAPTLMNANPC1RAB9A
SCHEMBL28696650 0.78 S1PR4 (0.47) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL4404101 0.76 S1PR4 (0.42) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL4406257 0.76 S1PR4 (0.42) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL6157675 0.76 DHFR (0.42) S1PR4MAPTHPGDNPC1RAB9A
SCHEMBL6566114 0.75 S1PR4 (0.41) S1PR4MAPTLMNAHPGDNPC1

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-20050182025-A1 Amidinylphenyl compounds and their use as fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2005-08-18 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-20050182025-A1 Amidinylphenyl compounds and their use as fungicides OR10J3, CBR3, C3AR1 S1PR4 1585/4885MAPT 4646/4885LMNA 2001/4885

“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.