SCHEMBL13015810

SCHEMBL13015810

CCN(CC)c1ccc2c(-c3ccc([N+](=O)[O-])c(N)c3C)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.60
▸ BLM P54132 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ PPARG P37231 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ NCOR2 Q9Y618 1/20 0.60
▸ TGM2 P21980 1/20 0.42
▸ FPR2 P25090 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL7092655 0.88 MEN1 (0.57) MEN1BLMKMT2AUSP2POLB
SCHEMBL13015811 0.87 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL13015812 0.84 MEN1 (0.57) MEN1BLMKMT2AUSP2POLB
SCHEMBL13015819 0.83 MEN1 (0.58) MEN1BLMKMT2AUSP2POLB
SCHEMBL18680528 0.81 MEN1 (0.62) MEN1BLMKMT2AUSP2POLB
SCHEMBL12176171 0.80 MEN1 (0.62) MEN1BLMKMT2AUSP2POLB
SCHEMBL11964677 0.78 MEN1 (0.64) MEN1BLMKMT2AUSP2POLB
SCHEMBL14901855 0.78 MEN1 (0.64) MEN1BLMKMT2AUSP2POLB
SCHEMBL21878599 0.78 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL21878601 0.78 USP2 (0.61) MEN1BLMKMT2AUSP2POLB

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
US-20100330685-A1 DIAMINORHODAMINE DERIVATIVE Nagano, Tetsuo (JP) 2010-12-30 — — US disclosed
US-20100029010-A1 Diaminorhodamine Derivative Nagano, Tetsuo (JP) 2010-02-04 — — US disclosed
US-20080108141-A1 DIAMINORHODAMINE DERIVATIVE Nagano, Tetsuo (JP) 2008-05-08 — — 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 (3 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-20100330685-A1 DIAMINORHODAMINE DERIVATIVE NOS2, NOS1, NOS3 MEN1 1689/4885BLM 1698/4885KMT2A 1420/4885
US-20080108141-A1 DIAMINORHODAMINE DERIVATIVE NOS2, PRMT1, ARG1 MEN1 1550/4885BLM 1714/4885KMT2A 1400/4885
US-20100029010-A1 Diaminorhodamine Derivative NOS2, NOS1, NOS3 MEN1 1689/4885BLM 1698/4885KMT2A 1420/4885

“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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