SCHEMBL13106351

SCHEMBL13106351

CCc1nn(C)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.40
▸ FBP1 P09467 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ TSHR P16473 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
SCHEMBL13106231 0.80 TDP1 (0.48) TDP1GAAALDH1A1POLBMAPK1
SCHEMBL31230971 0.79 TDP1 (0.47) TDP1GAAALDH1A1KDM4EMEN1
SCHEMBL31330879 0.79 TDP1 (0.47) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL25270235 0.79 TDP1 (0.47) TDP1GAAALDH1A1KDM4EMEN1
SCHEMBL31554686 0.79 GAA (0.48) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL31554591 0.74 TDP1 (0.42) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL31554646 0.74 TDP1 (0.39) TDP1GAAALDH1A1FBP1KDM4E
SCHEMBL13106349 0.73 GAA (0.46) TDP1GAAALDH1A1FBP1KDM4E
SCHEMBL13106356 0.73 ESR1 (0.43) ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL14077453 0.73 L3MBTL1 (0.41) GAAALDH1A1MAPK1L3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 TDP1 2850/4885PDE5A 1457/4885GAA 55/4885

“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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