SCHEMBL14279781

SCHEMBL14279781

CC(C)c1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 4/20 0.39
CYP19A1 P11511 1/20 0.37
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ACHE P22303 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 2/20 0.33
POLB P06746 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
EPHX1 P07099 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL8297342 0.74
SCHEMBL11327883 0.70 ALDH1A1 (0.53) ALDH1A1GLATSHRCYP19A1LMNA
SCHEMBL31439386 0.68
SCHEMBL9119505 0.68
SCHEMBL16423006 0.68
SCHEMBL2070952 0.68 ALDH1A1 (0.61) ALDH1A1GLATSHRCYP19A1TDP1
SCHEMBL9434897 0.68 ALDH1A1 (0.47) ALDH1A1GLATSHRCYP19A1LMNA
SCHEMBL8250738 0.66 CYP19A1 (0.54) ALDH1A1TSHRCYP19A1LMNATDP1
SCHEMBL11579141 0.66 TSHR (0.50) ALDH1A1TSHRCYP19A1LMNATDP1
SCHEMBL3293088 0.65 ALDH1A1 (0.63) ALDH1A1GLATSHRLMNATDP1

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
WO-2016049586-A2 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-03-31 WO disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 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-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A ALDH1A1 1290/4885GLA 2051/4885TSHR 1778/4885

“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.