SCHEMBL896664

SCHEMBL896664

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.44
CRBN Q96SW2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
FYN P06241 2/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
PTK2 Q05397 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL896604 0.87 NPSR1 (0.46) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL482910 0.86 CRBN (0.53) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL896347 0.85 NPSR1 (0.48) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL897030 0.85 NPSR1 (0.48) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL896665 0.84 MEN1 (0.48) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL482618 0.84 NPSR1 (0.44) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL482581 0.84 NPSR1 (0.46) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL483267 0.83 NPSR1 (0.45) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL896311 0.83 CRBN (0.46) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL897068 0.80 CRBN (0.49) MEN1KMT2ANPSR1KDM4EALDH1A1

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 MEN1 3996/4885KMT2A 4259/4885NPSR1 4135/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 MEN1 3996/4885KMT2A 4259/4885NPSR1 4135/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 MEN1 3996/4885KMT2A 4259/4885NPSR1 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.