SCHEMBL482709

SCHEMBL482709

COc1c(Br)cc(N=NN2CCCC2)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL896865 1.00 CYP1A1 (0.46) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL895925 0.74 CYP1A1 (0.41) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL895928 0.74 CYP1A1 (0.41) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL482635 0.66 CA2 (0.43) MAPTGAAHTTCA2CA4
SCHEMBL3521150 0.65 HSD17B10 (0.50) MAPTGAAALDH1A1HTTMEN1
SCHEMBL1530384 0.65 CA2 (0.52) MAPTHTTCA2CA4TSHR
SCHEMBL1064134 0.62 CYP1A1 (0.70) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL11980120 0.61 NPC1 (0.59) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL24576040 0.61 RAB9A (0.56) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL19573808 0.58 CA2 (0.58) MAPTHTTCA2CA4TSHR

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 CYP1A1 4140/4885CYP1B1 3731/4885NPC1 424/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CYP1A1 4140/4885CYP1B1 3731/4885NPC1 424/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CYP1A1 4140/4885CYP1B1 3731/4885NPC1 424/4885

“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.