SCHEMBL17449017

SCHEMBL17449017

CCCCC(=O)OC1(C)CC(c2ccc([N+](=O)[O-])cn2)=CC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ EIF4A1 P60842 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL17449008 0.85 PKM (0.38) PKMALDH1A1TDP1NPC1MAPT
SCHEMBL16094884 0.79 PKM (0.46) PKMALDH1A1TDP1NPC1MAPT
SCHEMBL3655889 0.75 CYP1A2 (0.40) ALDH1A1NPC1MAPTRAB9ACYP1A2
SCHEMBL16100031 0.75 GAA (0.41) ALDH1A1NPC1MAPTRAB9ACYP1A2
SCHEMBL16100029 0.75 GAA (0.41) ALDH1A1NPC1MAPTRAB9ACYP1A2
SCHEMBL16094831 0.73 PKM (0.46) PKMALDH1A1TDP1NPC1MAPT
SCHEMBL17449002 0.72 PRKCA (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL18929542 0.70 CSF1R (0.31) —
SCHEMBL16101599 0.69 GAA (0.41) ALDH1A1NPC1MAPTRAB9ACYP1A2
SCHEMBL16101597 0.69 GAA (0.41) ALDH1A1NPC1MAPTRAB9ACYP1A2

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-20170158678-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-08 — — US disclosed
US-9611259-B2 Substituted pyridine derivatives useful as C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 — — US disclosed
US-20160016942-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 — — 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 (2 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-20160016942-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS C-FMS KINASE INHIBITORS FLT3, ABL1, FES PKM 930/4885ALDH1A1 3083/4885TDP1 3262/4885
US-20170158678-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS C-FMS KINASE INHIBITORS FLT3, ABL1, FES PKM 930/4885ALDH1A1 3083/4885TDP1 3262/4885

“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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