SCHEMBL18680530

SCHEMBL18680530

Cc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(C)c3cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.46
▸ THRB P10828 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ RECQL P46063 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ GSR P00390 2/20 0.40
▸ APP P05067 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAD52 P43351 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ CASP6 P55212 2/20 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
SCHEMBL12851564 0.71 THRB (0.44) ABCB1THRBMAPK1RECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL29431823 0.70 THRB (0.45) ABCB1THRBMAPK1RECQLSMN1; SMN2
Zinc Chloride SCHEMBL29355064 0.67 THRB (0.42) ABCB1THRBMAPK1RECQLSMN1; SMN2
SCHEMBL11886398 0.67 MAPT (0.64) ABCB1THRBMAPK1RECQLSMN1; SMN2
SCHEMBL10035120 0.65 ABCB1 (0.61) ABCB1THRBMAPK1RECQLSMN1; SMN2
SCHEMBL18070382 0.65 APP (0.66) ABCB1THRBMAPK1RECQLSMN1; SMN2
SCHEMBL11886396 0.64 THRB (0.42) ABCB1THRBMAPK1RECQLSMN1; SMN2
SCHEMBL11886394 0.61 THRB (0.42) ABCB1THRBMAPK1RECQLSMN1; SMN2
SCHEMBL18680519 0.59 APP (0.59) ABCB1THRBMAPK1RECQLSMN1; SMN2
Methylene Blue Cation SCHEMBL29441543 0.57 APP (1.00) ABCB1THRBMAPK1RECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327874-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2024-02-28 — — EP disclosed
EP-3689346-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS FOR TREATING TAUOPATHIES WISTA LAB LTD (SG) 2024-01-24 — — EP disclosed
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2017-03-30 — — 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-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 ABCB1 2318/4885THRB 2986/4885MAPK1 1599/4885

“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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