SCHEMBL14358080

SCHEMBL14358080

CN(C)c1ncc([N+](=O)[O-])cc1N

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ CYP3A4 P08684 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDP1 Q9NUW8 4/20 0.41
▸ HTT P42858 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX15 P16050 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
SCHEMBL1100036 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRIDO1TDP1
SCHEMBL14358402 0.81 ALDH1A1 (0.67) ALDH1A1IDO1HTTGAAMEN1
SCHEMBL10346382 0.81 ALDH1A1 (0.62) ALDH1A1TDP1HTTGAAMEN1
SCHEMBL987475 0.80 IDO1 (0.53) ALDH1A1CYP3A4TSHRIDO1TDP1
SCHEMBL11544080 0.79 ALDH1A1 (0.60) ALDH1A1TDP1HTTGAAMEN1
SCHEMBL30464289 0.77 TSHR (0.52) ALDH1A1CYP3A4TSHRIDO1TDP1
SCHEMBL2144087 0.77 TSHR (0.52) ALDH1A1CYP3A4TSHRIDO1TDP1
SCHEMBL14358250 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1HTTGAA
SCHEMBL3594252 0.76 ALDH1A1 (1.00) ALDH1A1IDO1HTTGAAMEN1
SCHEMBL27609025 0.74 IDO1 (0.47) ALDH1A1CYP3A4TSHRIDO1TDP1

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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 — — US disclosed
EP-2723737-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Kyorin Pharmaceutical Co., Ltd. (JP) 2014-04-30 — — EP disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD ALDH1A1 802/4885CYP3A4 230/4885TSHR 4681/4885

“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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