SCHEMBL4339089

SCHEMBL4339089

CC(C)OCCCNC(=O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.78
ALDH1A1 P00352 2/20 0.76
TSHR P16473 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
SMN1; SMN2 Q16637 4/20 0.70
HTT P42858 1/20 0.70
TP53 P04637 1/20 0.64
PKM P14618 1/20 0.64
KDM4E B2RXH2 1/20 0.64
NAMPT P43490 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 2/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NAAA Q02083 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL6572187 0.88 ALDH1A1 (0.81) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL12301886 0.88 ALDH1A1 (0.76) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL12882984 0.85 TSHR (1.00) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL13762071 0.85 ALDH1A1 (0.72) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL30914525 0.84 PAX8 (0.59) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL4039186 0.83 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL5553203 0.83 KMT2A (0.72) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL4722636 0.83 PAX8 (0.68) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL14899857 0.81 PAX8 (0.65) PAX8ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL25863565 0.80 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2GAAHPGDNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 US disclosed
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 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 (4 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 PAX8 1850/4885ALDH1A1 1154/4885TSHR 3976/4885
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI PAX8 1520/4885ALDH1A1 1224/4885TSHR 4268/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 PAX8 4151/4885ALDH1A1 1140/4885TSHR 3224/4885
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA PAX8 4833/4885ALDH1A1 1029/4885TSHR 4675/4885

“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.