SCHEMBL13106231

SCHEMBL13106231

Cc1nn(C)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 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
SCHEMBL25270235 0.83 TDP1 (0.47) TDP1ALDH1A1SMN1; SMN2GAANPC1
SCHEMBL31554686 0.83 GAA (0.48) TDP1ALDH1A1SMN1; SMN2GAANPC1
SCHEMBL31330879 0.83 TDP1 (0.47) TDP1ALDH1A1SMN1; SMN2GAANPC1
SCHEMBL31230971 0.83 TDP1 (0.47) TDP1ALDH1A1SMN1; SMN2GAANPC1
SCHEMBL13106351 0.80 TDP1 (0.44) TDP1ALDH1A1SMN1; SMN2GAANPC1
SCHEMBL31554591 0.78 TDP1 (0.42) TDP1ALDH1A1SMN1; SMN2GAANPC1
SCHEMBL25598078 0.76 CYP1A2 (0.55) TDP1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL31554720 0.75 TDP1 (0.39) TDP1ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL31554646 0.75 TDP1 (0.39) TDP1ALDH1A1SMN1; SMN2GAANPC1
SCHEMBL13106228 0.74 ALDH1A1 (0.49) TDP1ALDH1A1SMN1; SMN2GAANPC1

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 2850/4885ALDH1A1 2752/4885SMN1; SMN2 4604/4885

“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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