SCHEMBL2969896

SCHEMBL2969896

[NH]C(=O)CNC(=O)c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
PKM P14618 1/20 0.62
HPGD P15428 1/20 0.60
RAB9A P51151 3/20 0.58
NPC1 O15118 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51

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
SCHEMBL237337 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL4847926 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL13074753 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL23014488 0.81 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL11319921 0.81 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL4587893 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL8790891 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL13545144 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL11715571 0.79 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2PKMHPGDRAB9A
SCHEMBL13543194 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PKMHPGDRAB9A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (4 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 2391/4885SMN1; SMN2 3469/4885PKM 503/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885SMN1; SMN2 3135/4885PKM 3412/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885SMN1; SMN2 3135/4885PKM 3412/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885SMN1; SMN2 3562/4885PKM 535/4885

“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.