SCHEMBL224141

SCHEMBL224141

COc1cc(N)ccc1N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
MAPK1 P28482 3/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
APP P05067 4/20 0.51
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NR4A1 P22736 1/20 0.46
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.43
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP19A1 P11511 4/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL30828566 1.00 MAPT (0.52) MAPTGAAMAPK1TSHRHTT
Hydrochloric Acid SCHEMBL30828603 0.98 MAPT (0.50) MAPTGAAMAPK1TSHRHTT
SCHEMBL1640545 0.83 APP (0.56) MAPTGAAMAPK1TSHRHTT
SCHEMBL15625331 0.82 MAPT (0.50) MAPTGAAMAPK1TSHRHTT
SCHEMBL6081370 0.79 GAA (0.52) MAPTGAAMAPK1TSHRHTT
SCHEMBL30966770 0.78 APP (0.55) MAPK1TSHRAPPALDH1A1KDM4E
SCHEMBL11413201 0.78 ALDH1A1 (0.51) MAPTGAAMAPK1TSHRHTT
SCHEMBL29833314 0.77 MAPT (0.46) MAPTGAAMAPK1TSHRHTT
SCHEMBL14320992 0.77 MAPT (0.46) MAPTGAAMAPK1TSHRHTT
SCHEMBL14320337 0.77 MAPT (0.46) MAPTGAAMAPK1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-6388131-B2 Benzenesulfonamide compounds, which encompasses the compound batabulin (2-Fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene) TULARIK, INC. 2002-05-14 US disclosed
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US disclosed
US-6284923-B1 BENZENESULFONIMIDES FOR TREATMENT OF CANCER AND ANTICHOLESTEROL AGENTS TULARIK INC 2001-09-04 US disclosed
US-5739078-A FOR THERMAL RECORDING PAPERS AND PRESSURE SENSITIVE COPYING PAPERS NIPPON SODA CO., LTD. (JP) 1998-04-14 US disclosed
EP-0735105-A1 NOVEL FLUORAN COMPOUND, INTERMEDIATE, AND CHROMOGENIC RECORDING MATERIAL NIPPON SODA CO., LTD. (JP) 1996-10-02 EP 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 (2 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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 MAPT 2283/4885GAA 1364/4885MAPK1 263/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X MAPT 4809/4885GAA 3289/4885MAPK1 3182/4885

“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.