SCHEMBL810478

SCHEMBL810478

Nc1cc(Br)ccc1Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.40
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 2/20 0.39
ADORA2A P29274 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHFR P00374 2/20 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
SCHEMBL8379572 0.85 MAPT (0.43) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL810973 0.81 NR1H2 (0.45) ALDH1A1KDM4EMAPTHPGDSLC6A4
SCHEMBL29217096 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDSLC6A4
SCHEMBL9631752 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHPGDSLC6A4
SCHEMBL25751893 0.79 PDE7A (0.42) ALDH1A1KDM4ESLC6A4SLC6A2SLC6A3
SCHEMBL810880 0.77 SLC6A2 (0.53) ALDH1A1KDM4EMAPTHPGDSLC6A4
SCHEMBL3521485 0.77 PDE7A (0.54) ALDH1A1KDM4EMAPTHPGDSLC6A4
SCHEMBL5424596 0.77 SMN1; SMN2 (0.38) ALDH1A1KDM4EMAPTHPGDSLC6A4
SCHEMBL3790365 0.77 KDM4E (0.55) ALDH1A1KDM4EMAPTHPGDSLC6A4
SCHEMBL19180560 0.77 MAPT (0.41) ALDH1A1KDM4EMAPTHPGDSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017195149-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-16 WO disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
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
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
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (3 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 ALDH1A1 2723/4885KDM4E 1822/4885MAPT 1347/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885KDM4E 1822/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885KDM4E 1822/4885MAPT 1347/4885

“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.