SCHEMBL9609417

SCHEMBL9609417

O=c1c2ccccc2n(Cc2ccccc2)c2ccc([S+](c3ccc(O)cc3)c3ccc(O)cc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 4/20 0.61
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP19A1 P11511 1/20 0.48
▸ NTRK1 P04629 1/20 0.46
▸ PRKDC P78527 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ PGR P06401 1/20 0.43
▸ MARK4 Q96L34 1/20 0.43

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
SCHEMBL9609423 0.91 P2RX4 (0.49) P2RX4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9609400 0.85 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9609418 0.84 P2RX4 (0.47) P2RX4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9609422 0.83 P2RX4 (0.58) P2RX4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9609395 0.81 HTT (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9609425 0.81 HDAC6 (0.41) P2RX4SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9609426 0.80 P2RX4 (0.45) P2RX4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9609419 0.80 P2RX4 (0.47) P2RX4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28041337 0.78 P2RX4 (0.86) P2RX4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9609401 0.78 NPC1 (0.48) KDM4EALDH1A1

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 P2RX4 1078/4885MEN1 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.

Send feedback