SCHEMBL9609400

SCHEMBL9609400

CCn1c2ccccc2c(=O)c2cc([S+](c3ccc(O)cc3)c3ccc(O)cc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ KDM4E B2RXH2 9/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 8/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ RCE1 Q9Y256 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HBB P68871 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ MARK4 Q96L34 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL9609395 0.85 HTT (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9609417 0.85 P2RX4 (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11376152 0.85 ALDH1A1 (0.72) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL9609413 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHPGDLMNA
SCHEMBL9609423 0.81 P2RX4 (0.49) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL9609401 0.80 NPC1 (0.48) ALDH1A1KDM4ENPSR1HSD17B10GLA
SCHEMBL9609425 0.80 HDAC6 (0.41) ALDH1A1KDM4ENPSR1MAPTPOLB
SCHEMBL29403453 0.79 MAPT (0.58) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL11921074 0.79 MAPT (0.58) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL9609402 0.79 RXFP1 (0.43) ALDH1A1KDM4ENPSR1MAPTMEN1

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 2040/4885KDM4E 2462/4885NPSR1 1210/4885

“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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