SCHEMBL628027

SCHEMBL628027

COc1ccc(CN(Cc2ccc(OC)c(N)c2)c2ccc(F)cc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTR7 P34969 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNQ2 O43526 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
SCHEMBL6876672 0.81 ALDH1A1 (0.54) GAAALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL627460 0.77 SMN1; SMN2 (0.57) GAAALDH1A1MEN1KMT2A
SCHEMBL4528153 0.76 GAA (0.67) GAAALDH1A1CYP3A4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5913154 0.74 GAA (0.65) GAAALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL112310 0.73 ALDH1A1 (0.59) GAAALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL29937119 0.73 ALDH1A1 (0.59) GAAALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL15928728 0.73 S100B (0.55) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL628354 0.72 MAOB (0.47) ALDH1A1CYP3A4MAPT
SCHEMBL31090146 0.71 GAA (0.77) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL6865547 0.71 GAA (1.00) GAAALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885CYP3A4 1792/4885

“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.