SCHEMBL10253299

SCHEMBL10253299

CC(C)(C)[C@@H](N)CCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
NFKB1 P19838 1/20 0.37
DNM1 Q05193 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CPB2 Q96IY4 2/20 0.34
RNPEP Q9H4A4 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL9191599 1.00 GSR (0.39) GSRNFKB1DNM1CA12CA1
SCHEMBL18488978 0.97 DNM1 (0.40) GSRDNM1CA12CA1CA2
SCHEMBL12234099 0.92 DPP4 (0.34) GSRNFKB1DNM1CA12CA1
Hydrochloric Acid SCHEMBL23529600 0.90 DPP4 (0.33) GSRNFKB1DNM1CPB2DPP4
SCHEMBL6743203 0.80
SCHEMBL29141432 0.80 GSR (0.41) GSRNFKB1DNM1CA12CA1
SCHEMBL1236943 0.79 OPRM1 (0.52) LMNABLM
SCHEMBL20697904 0.78 GSR (0.35) GSRNFKB1DNM1CA12CA1
SCHEMBL5508335 0.77 OPRM1 (0.50) DNM1LMNATSHRBLM
SCHEMBL11897705 0.77 OPRM1 (0.50) DNM1LMNATSHRBLM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7317008-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMACEUTICALS, INC. (US) 2008-01-08 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 (1 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-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 GSR 2983/4885NFKB1 2825/4885DNM1 434/4885

“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.