SCHEMBL1455280

SCHEMBL1455280

[NH]C(=O)NCc1ccco1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
EPHX2 P34913 3/20 0.64
TDP1 Q9NUW8 3/20 0.62
POLB P06746 5/20 0.60
HPGD P15428 4/20 0.60
HSD17B10 Q99714 3/20 0.60
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
PTPN7 P35236 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.58
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
APEX1 P27695 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL4448151 0.86 ALDH1A1 (0.62) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL18415483 0.86 POLB (0.77) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL24575916 0.86 EPHX2 (0.83) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL14694017 0.86 ALDH1A1 (0.66) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL29410065 0.84 ALDH1A1 (0.74) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL1694937 0.84 ALDH1A1 (0.64) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL48668 0.82 ALDH1A1 (0.62) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL8295316 0.82 ALDH1A1 (0.62) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL5804290 0.82 ALDH1A1 (0.62) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL6289033 0.81 ALDH1A1 (0.70) ALDH1A1EPHX2TDP1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885EPHX2 3223/4885TDP1 4336/4885

“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.