SCHEMBL18680528

SCHEMBL18680528

CCN(CC)c1ccc2c(-c3ccc([N+](=O)[O-])cc3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ BLM P54132 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ PPARG P37231 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ NCOR2 Q9Y618 1/20 0.62
▸ TDP1 Q9NUW8 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TGM2 P21980 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FPR2 P25090 4/20 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
SCHEMBL18680527 0.90 MEN1 (0.65) MEN1KMT2ABLMUSP2POLB
SCHEMBL15488855 0.86 MEN1 (0.45) MEN1KMT2ABLMUSP2POLB
SCHEMBL12410862 0.86 MEN1 (0.64) MEN1KMT2ABLMUSP2POLB
SCHEMBL21878599 0.86 MEN1 (0.59) MEN1KMT2ABLMUSP2POLB
SCHEMBL17696488 0.85 MEN1 (0.61) MEN1KMT2ABLMUSP2POLB
SCHEMBL15488854 0.83 MEN1 (0.57) MEN1KMT2ABLMUSP2POLB
SCHEMBL17124185 0.81 MEN1 (0.72) MEN1KMT2ABLMUSP2POLB
SCHEMBL10020929 0.81 MEN1 (0.52) MEN1KMT2ABLMUSP2POLB
SCHEMBL13015810 0.81 MEN1 (0.60) MEN1KMT2ABLMUSP2POLB
SCHEMBL13932807 0.81 MEN1 (0.64) MEN1KMT2ABLMUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2597/4885KMT2A 3851/4885BLM 3838/4885

“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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