SCHEMBL897005

SCHEMBL897005

COc1c(Br)cc(-c2cccnc2OC(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.39
EGFR P00533 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
PADI1 Q9ULC6 1/20 0.34
PADI3 Q9ULW8 1/20 0.34
PADI4 Q9UM07 1/20 0.34
PADI2 Q9Y2J8 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
P2RY1 P47900 2/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
BRD4 O60885 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL896534 0.78 NPSR1 (0.56) ERBB2EGFRNPSR1MEN1KMT2A
SCHEMBL1542276 0.76 ALOX5AP (0.43) PTGES2LOXL2FFAR4ALOX5APFEN1
SCHEMBL1542893 0.73 ERN1 (0.42) PTGES2LOXL2FFAR4ALOX5APFEN1
SCHEMBL896538 0.73 CRBN (0.53) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL897047 0.71 NPSR1 (0.54) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1542504 0.71 ALDH1A1 (0.45) MEN1KMT2AALDH1A1PTGES2LOXL2
SCHEMBL6342990 0.71 ERBB2 (0.44) ERBB2EGFRMEN1KMT2AATM
SCHEMBL2128538 0.70 CYP3A4 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12678826 0.70 TLR8 (0.41) NPSR1KDM4EALDH1A1GAABRD4
SCHEMBL2128540 0.70 CYP3A4 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD

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 ERBB2 4732/4885EGFR 4055/4885NPSR1 4135/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 ERBB2 4732/4885EGFR 4055/4885NPSR1 4135/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ERBB2 4732/4885EGFR 4055/4885NPSR1 4135/4885

“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.