SCHEMBL482536

SCHEMBL482536

COc1c(Br)cc(NC(C)=O)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
TPMT P51580 1/20 0.36
ESRRA P11474 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL28042364 0.88 ALDH1A1 (0.41) ALDH1A1GAATDP1LMNAMAPT
SCHEMBL483090 0.84 ALDH1A1 (0.39) ALDH1A1GAATDP1LMNAMAPT
SCHEMBL26250508 0.83 ALDH1A1 (0.58) ALDH1A1GAATDP1PTGS1PTGS2
SCHEMBL10792245 0.80 TSHR (0.53) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL18751506 0.80 ALDH1A1 (0.53) ALDH1A1GAATDP1LMNAMAPT
SCHEMBL26467006 0.78 IDO1 (0.43) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1530410 0.77 MAPT (0.37) ALDH1A1GAATDP1LMNAMAPT
SCHEMBL1530412 0.77 MAPT (0.37) ALDH1A1GAATDP1LMNAMAPT
SCHEMBL7224330 0.73 ALDH1A1 (0.72) ALDH1A1GAATDP1PTGS1PTGS2
SCHEMBL2276660 0.73 GAA (1.00) ALDH1A1GAATDP1PTGS1PTGS2

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-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
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO 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 ALDH1A1 2957/4885GAA 246/4885TDP1 2255/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885GAA 246/4885TDP1 2255/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885GAA 246/4885TDP1 2255/4885

“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.