SCHEMBL13484528

SCHEMBL13484528

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ MAPT P10636 6/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ USP2 O75604 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ ABCB1 P08183 1/20 0.40
▸ HTT P42858 5/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ ATM Q13315 7/20 0.39
▸ GLA P06280 6/20 0.39

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
SCHEMBL12836995 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13179036 0.74 ABCB1 (0.56) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13015811 0.73 MEN1 (0.61) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13820288 0.73 ABCB1 (0.59) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL14338738 0.72 MEN1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL10040697 0.72 ABCB1 (0.71) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13015810 0.71 MEN1 (0.60) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13015812 0.70 MEN1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL14534275 0.70 ABCB1 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL14263967 0.70 ABCB1 (0.51) ALDH1A1KDM4EMAPTL3MBTL1HPGD

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-20100029010-A1 Diaminorhodamine Derivative Nagano, Tetsuo (JP) 2010-02-04 — — 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-20100029010-A1 Diaminorhodamine Derivative NOS2, NOS1, NOS3 ALDH1A1 1638/4885KDM4E 1388/4885MAPT 4542/4885

“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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