SCHEMBL14710607

SCHEMBL14710607

COC(=O)C(C(=O)OC)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.49
MERTK Q12866 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSR P00390 3/20 0.40
TXNRD1 Q16881 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL30889027 0.89 ALDH1A1 (0.48) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL6642983 0.89 ALDH1A1 (0.48) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL30937582 0.83 ALDH1A1 (0.60) ALDH1A1MAPTHTTGSRTXNRD1
SCHEMBL11827515 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL3961361 0.81 KMT2A (0.44) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL13586870 0.80 MAPT (0.46) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL11010423 0.78 MAPT (0.42) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL10696959 0.77 MAPT (0.55) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL9110706 0.77 MAPT (0.65) ALDH1A1MAPTMERTKHTTL3MBTL1
SCHEMBL8313767 0.77 MAPT (0.65) ALDH1A1MAPTMERTKHTTL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885MAPT 4564/4885MERTK 1831/4885

“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.