SCHEMBL9609401

SCHEMBL9609401

O=c1c2ccccc2n(CC2CCCCC2)c2ccc([S+](c3ccc(O)cc3)c3ccc(O)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RORC P51449 4/20 0.44
▸ RORA P35398 2/20 0.44
▸ RORB Q92753 2/20 0.44
▸ DHFR P00374 1/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTGER4 P35408 2/20 0.38
▸ GLA P06280 2/20 0.37
▸ ABCC2 Q92887 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MTOR P42345 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
SCHEMBL9609394 0.83 ALDH1A1 (0.47) NPC1KDM4EALDH1A1NPSR1RAB9A
SCHEMBL12692771 0.83 NPC1 (0.48) NPC1RORCRORARORBDHFR
SCHEMBL12216223 0.81 DHFR (0.61) NPC1RORCRORARORBDHFR
SCHEMBL9609400 0.80 ALDH1A1 (0.59) KDM4EALDH1A1NPSR1HSD17B10GLA
SCHEMBL9609417 0.78 P2RX4 (0.61) KDM4EALDH1A1
SCHEMBL9609395 0.76 HTT (0.48) NPC1KDM4EALDH1A1HSD17B10GLA
SCHEMBL9609423 0.75 P2RX4 (0.49) KDM4EALDH1A1NPSR1
SCHEMBL9609425 0.74 HDAC6 (0.41) KDM4EALDH1A1NPSR1GLAATM
SCHEMBL9609424 0.72 IDO1 (0.45) NPC1KDM4EALDH1A1GLARAB9A
SCHEMBL7140681 0.72 NPC1 (0.53) NPC1RORCRORARORBDHFR

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 4710/4885RORC 3810/4885RORA 4001/4885

“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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