SCHEMBL482843

SCHEMBL482843

COc1c(Br)cc(I)cc1-c1ccc(C)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
GSK3B P49841 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
APLNR P35414 1/20 0.32

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
SCHEMBL27870721 0.74 MAPK13 (0.36) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL2398559 0.72 CA2 (0.58) CA2CA4HPGDHSD17B10MAPT
SCHEMBL895928 0.71 CYP1A1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK13MAPK12
SCHEMBL895925 0.71 CYP1A1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK13MAPK12
SCHEMBL1530384 0.67 CA2 (0.52) CA2CA4HPGDHSD17B10MAPT
SCHEMBL12578009 0.65 TDP1 (0.67) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL21830277 0.64 CA2 (0.48) CA2CA4ALDH1A1HPGDKDM4E
SCHEMBL31063348 0.64 CA2 (0.48) CA2CA4HPGDHSD17B10MAPT
SCHEMBL5544530 0.64 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL21929982 0.63 TDP1 (0.62) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10

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-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
CN-105924386-A Antiviral Compounds And Uses Thereof ABBVIE 公司 2016-09-07 CN disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885ALDH1A1 2957/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885ALDH1A1 2957/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CA2 3738/4885CA4 2966/4885ALDH1A1 2957/4885

“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.