SCHEMBL12878869

SCHEMBL12878869

CC(C)CCCOc1nc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.42
▸ MAX P61244 2/20 0.42
▸ PIN1 Q13526 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSH P09668 1/20 0.36
▸ APP P05067 1/20 0.35
▸ TXNRD1 Q16881 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL1201477 0.83 TXNRD1 (0.51) TXNRD1MAPTHTTHSP90AA1RAB9A
SCHEMBL16975807 0.78 MAPT (0.37) MYCMAXPIN1XDHMAPT
SCHEMBL27924590 0.78 ALDH1A1 (0.55) MAPTPOLBCYP2C19L3MBTL1ALDH1A1
SCHEMBL1201471 0.77 TXNRD1 (0.45) MYCMAXTXNRD1MAPTRAB9A
SCHEMBL27175935 0.75 MERTK (0.48) PIN1CTSBCTSHTXNRD1MAPT
SCHEMBL27772658 0.74 TXNRD1 (0.41) XDHTXNRD1MAPTHTTL3MBTL1
SCHEMBL1200326 0.74 S1PR4 (0.33) XDHMAPTHTTPOLBL3MBTL1
SCHEMBL1200378 0.73 TXNRD1 (0.40) XDHTXNRD1MAPTPOLBALDH1A1
SCHEMBL27772699 0.73 TXNRD1 (0.40) XDHTXNRD1MAPTL3MBTL1ALDH1A1
SCHEMBL1201484 0.73 PIN1 (0.37) MYCMAXPIN1XDHMAPT

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-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 — — US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 — — US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 — — 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO MYC 3607/4885MAX 4776/4885PIN1 1945/4885

“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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