SCHEMBL16217686

SCHEMBL16217686

CCOC(=O)Oc1cc([N+](=O)[O-])c(Br)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
CUL4A Q13619 1/20 0.39
ALDH1A1 P00352 7/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 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
SCHEMBL3983709 0.90 ALDH1A1 (0.38) KMT2AALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL17452063 0.88 ALDH1A1 (0.40) KMT2AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL396929 0.86 ALDH1A1 (0.39) KMT2AALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL15962309 0.84 ALDH1A1 (0.38) KMT2AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3983716 0.83 ALDH1A1 (0.38) KMT2AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3983714 0.83 ALDH1A1 (0.38) KMT2AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL17374942 0.82 THRB (0.45) KMT2ACUL4AALDH1A1LMNAPOLB
SCHEMBL3274429 0.82 KMT2A (0.41) KMT2ACUL4AALDH1A1LMNAPOLB
SCHEMBL17379067 0.81 AR (0.40) ALDH1A1TDP1TSHR
SCHEMBL21629536 0.78 MAPT (0.37) KMT2ACUL4AALDH1A1LMNAPOLB

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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KMT2A 4359/4885CUL4A 2402/4885ALDH1A1 2535/4885

“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.