SCHEMBL9609406

SCHEMBL9609406

Cn1c2ccccc2c(=O)c2cc([S+](c3ccc(SCCO)cc3)c3ccc(SCCO)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ATM Q13315 2/20 0.40
▸ L3MBTL1 Q9Y468 6/20 0.39
▸ HCRTR1 O43613 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36

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
SCHEMBL9609396 0.84 NPC1 (0.39) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609402 0.81 RXFP1 (0.43) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609395 0.80 HTT (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609411 0.79 HTT (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609428 0.78 ATM (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609412 0.74 L3MBTL1 (0.46) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609397 0.74 ATM (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609405 0.73 HTT (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9609413 0.71 ALDH1A1 (0.46) NPC1POLBKDM4EALDH1A1HPGD
SCHEMBL9609400 0.70 ALDH1A1 (0.59) MEN1KMT2APOLBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073854-B2 Aromatic sulfonium salt compound ADEKA CORPORATION (JP) 2015-07-07 — — US disclosed
US-20120136155-A1 AROMATIC SULFONIUM SALT COMPOUND ADEKA CORPORATION (JP) 2012-05-31 — — 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-20120136155-A1 AROMATIC SULFONIUM SALT COMPOUND F12, ASIC1, SPIN1 NPC1 4710/4885RAB9A 1599/4885MEN1 1116/4885

“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.

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