SCHEMBL18022811

SCHEMBL18022811

CCN(CC)c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc(N(CC)CC)cc2O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PHLPP2 Q6ZVD8 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ TLR9 Q9NR96 2/20 0.39
▸ CDC25C P30307 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL15488872 0.94 MAPT (0.45) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL11274067 0.86 MAPT (0.51) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL13296552 0.85 ALDH1A1 (0.47) MAPTL3MBTL1TSHRCYP3A4MAPK1
SCHEMBL11274071 0.83 MAPT (0.51) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL5667391 0.82 MAPT (0.48) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL5010052 0.82 MAPT (0.68) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL17124187 0.82 MAPT (0.68) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL15488871 0.79 ALDH1A1 (0.45) MAPTL3MBTL1TSHRCYP3A4TDP1
SCHEMBL11583222 0.78 ALDH1A1 (0.50) MAPTL3MBTL1TSHRCYP3A4MAPK1
SCHEMBL160430 0.75 ALDH1A1 (0.57) MAPTL3MBTL1TSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399955-B2 3,6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2019-09-03 — — US disclosed
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2017-03-30 — — US disclosed
US-9549933-B2 3,6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2017-01-24 — — US disclosed
EP-2373660-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LAB LTD (SG) 2016-08-17 — — EP 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 (2 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-10399955-B2 3,6-disubstituted xanthylium salts MAPT, PSEN2, PSEN1 MAPT 1/4885L3MBTL1 2899/4885TSHR 4188/4885
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 MAPT 1/4885L3MBTL1 2899/4885TSHR 4188/4885

“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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