SCHEMBL9609394

SCHEMBL9609394

O=c1c2ccccc2n(C2CCCCC2)c2ccc([S+](c3ccc(O)cc3)c3ccc(O)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ GAA P10253 4/20 0.45
▸ POLB P06746 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ CRHBP P24387 4/20 0.39
▸ CRHR2 Q13324 4/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL9609401 0.83 NPC1 (0.48) ALDH1A1NPSR1KDM4ENPC1RAB9A
SCHEMBL9609395 0.79 HTT (0.48) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL9609400 0.76 ALDH1A1 (0.59) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL9609417 0.74 P2RX4 (0.61) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL9609402 0.73 RXFP1 (0.43) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL11823921 0.72 POLB (0.56) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL10946524 0.71 MEN1 (0.49) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL9609423 0.70 P2RX4 (0.49) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL4728728 0.70 MEN1 (0.53) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL21448628 0.70 MEN1 (0.53) ALDH1A1MEN1KMT2AGAAPOLB

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 ALDH1A1 2040/4885MEN1 1116/4885KMT2A 1571/4885

“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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