SCHEMBL239538

SCHEMBL239538

O=[N+]([O-])c1cc(F)c(N2CCC3(CC2)OCCO3)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 13/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.38
LGMN Q99538 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
SCHEMBL2723622 0.84 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL852833 0.82 ALDH1A1 (0.61) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL31727050 0.82 ALDH1A1 (0.61) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL3513303 0.80 ALDH1A1 (0.50) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL21634817 0.80 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL28196822 0.78 ALDH1A1 (0.46) SMN1; SMN2GAAALDH1A1KMT2AMAPT
SCHEMBL4291603 0.78 ALDH1A1 (0.55) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL12684501 0.77 MAPK8 (0.41) SMN1; SMN2GAAALDH1A1KMT2ANPC1
SCHEMBL17543003 0.77 NPC1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL237952 0.77 LGMN (0.43) SMN1; SMN2GAAALDH1A1KMT2ANPC1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 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 (9 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885GAA 223/4885ALDH1A1 2858/4885

“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.