SCHEMBL896534

SCHEMBL896534

COc1c(Br)cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
ERBB2 P04626 2/20 0.32
EGFR P00533 1/20 0.32
DHFR P00374 1/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 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
SCHEMBL897047 0.93 NPSR1 (0.54) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL896788 0.85 NPSR1 (0.56) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL896487 0.84 GAA (0.54) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL896603 0.80 NPSR1 (0.50) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL897005 0.78 ERBB2 (0.39) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL482940 0.74 NPSR1 (0.52) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL896347 0.74 NPSR1 (0.48) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL896548 0.73 NPSR1 (0.63) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL896617 0.71 CYP3A4 (0.61) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL896479 0.70 GAA (1.00) NPSR1ATMMEN1KMT2AKDM4E

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 NPSR1 4135/4885ATM 4521/4885MEN1 3996/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 NPSR1 4135/4885ATM 4521/4885MEN1 3996/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 NPSR1 4135/4885ATM 4521/4885MEN1 3996/4885

“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.