SCHEMBL2970880

SCHEMBL2970880

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 5/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
F10 P00742 1/20 0.47
MAPT P10636 3/20 0.45
PAX8 Q06710 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSPB1 P04792 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28165935 0.89 MAPT (0.51) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL1341586 0.87 ALDH1A1 (0.57) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL2970392 0.87 KMT2A (0.50) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL2969148 0.83 KDM4E (0.56) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL14879508 0.82 HPSE (0.61) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL2955043 0.82 HSPB1 (0.50) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL2962096 0.82 L3MBTL1 (0.48) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL9788477 0.79 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL9170741 0.78 MEN1 (0.58) SMN1; SMN2KMT2APOLBMEN1F10
SCHEMBL23174919 0.78 MAPT (0.51) SMN1; SMN2LMNAALDH1A1KMT2AMEN1

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 7 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
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (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 SMN1; SMN2 3135/4885LMNA 3252/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 3135/4885LMNA 3252/4885ALDH1A1 2723/4885

“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.