SCHEMBL895925

SCHEMBL895925

COc1c(Br)cc(/N=N/N2CCCC2)cc1-c1ccc(C)o1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL895928 1.00 CYP1A1 (0.41) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL482709 0.74 CYP1A1 (0.46) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL896865 0.74 CYP1A1 (0.46) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL482843 0.71 CA2 (0.37) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL482820 0.68 CRBN (0.43) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL482819 0.68 CRBN (0.43) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL27870721 0.59 MAPK13 (0.36) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1064135 0.58 CYP1A1 (0.70) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL1064134 0.58 CYP1A1 (0.70) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2
SCHEMBL28551727 0.57 NPC1 (0.59) CYP1A1CYP1B1NPC1RAB9ASMN1; SMN2

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 7 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
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

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.