SCHEMBL2962096

SCHEMBL2962096

CN(C)C(=O)c1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
HSPB1 P04792 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 2/20 0.47
PAX8 Q06710 1/20 0.47
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
F10 P00742 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
F2 P00734 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HPSE Q9Y251 1/20 0.44
GFER P55789 1/20 0.44
ERN1 O75460 1/20 0.43

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
SCHEMBL2961589 0.86 PDE7A (0.52) SMN1; SMN2MAPTPAX8LMNAMEN1
SCHEMBL2969148 0.85 KDM4E (0.56) L3MBTL1HSPB1SMN1; SMN2MAPTPAX8
SCHEMBL1341586 0.85 ALDH1A1 (0.57) L3MBTL1HSPB1SMN1; SMN2MAPTPAX8
SCHEMBL2955043 0.84 HSPB1 (0.50) L3MBTL1HSPB1SMN1; SMN2MAPTPAX8
SCHEMBL2970880 0.82 SMN1; SMN2 (0.49) L3MBTL1HSPB1SMN1; SMN2MAPTPAX8
SCHEMBL2962980 0.81 F10 (0.51) F10F2
SCHEMBL30957318 0.80 MEN1 (0.45) SMN1; SMN2MAPTPAX8LMNAMEN1
SCHEMBL24346429 0.79 KMT2A (0.53) SMN1; SMN2LMNAMEN1KMT2AF10
SCHEMBL26352828 0.79 KDM4E (0.52) MAPTMEN1KMT2AF10F2
SCHEMBL31120715 0.79 HSPB1 (0.55) L3MBTL1HSPB1SMN1; SMN2MAPTPAX8

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-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 L3MBTL1 2884/4885HSPB1 2200/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 L3MBTL1 2884/4885HSPB1 2200/4885SMN1; SMN2 3135/4885

“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.