SCHEMBL810653

SCHEMBL810653

COc1ccc(Sc2cc(C)cc(N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.47
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
ACHE P22303 1/20 0.42
HTR1A P08908 2/20 0.42
HTR3A P46098 2/20 0.42
TSHR P16473 2/20 0.41
HTR2C P28335 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 3/20 0.39
HAO1 Q9UJM8 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL7188754 0.83 TSHR (0.58) TDP1MAPK1ALDH1A1CYP3A4ACHE
SCHEMBL810376 0.82 ALDH1A1 (0.49) PTGIRALDH1A1CYP3A4ACHEHTR1A
SCHEMBL7187600 0.81 ALDH1A1 (0.63) MAPK1ALDH1A1CYP3A4ACHETSHR
SCHEMBL5786907 0.79 TDP1 (0.73) PTGIRTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL811095 0.79 NR1H2 (0.52) TDP1MAPK1ALDH1A1CYP3A4ACHE
SCHEMBL18723690 0.77 TDP1 (0.47) PTGIRTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL3484650 0.77 ACHE (0.71) PTGIRALDH1A1ACHEHTR1AHTR3A
SCHEMBL482369 0.77 CA1 (0.65) PTGIRTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL14252182 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4ACHE
SCHEMBL5340334 0.75 ACHE (0.53) PTGIRCYP3A4ACHEHTR1AHTR3A

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-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PTGIR 3658/4885TDP1 4336/4885MAPK1 2917/4885

“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.