SCHEMBL2755878

SCHEMBL2755878

CN(C)c1ccc(CNC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 2/20 0.66
HTT P42858 1/20 0.66
HDAC1 Q13547 7/20 0.58
HDAC6 Q9UBN7 7/20 0.58
HDAC2 Q92769 6/20 0.58
HDAC10 Q969S8 6/20 0.58
HDAC8 Q9BY41 6/20 0.58
CA2 P00918 1/20 0.54
HDAC3 O15379 5/20 0.52
HDAC4 P56524 5/20 0.52
HDAC7 Q8WUI4 5/20 0.52
HDAC11 Q96DB2 5/20 0.52
HDAC9 Q9UKV0 5/20 0.52
HDAC5 Q9UQL6 5/20 0.52
EPHX2 P34913 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL25189530 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EHTTHDAC1HDAC6
SCHEMBL9242992 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHTTHDAC1HDAC6
SCHEMBL11533429 0.83 CYP2C9 (0.65) ALDH1A1HTTHDAC1HDAC6MEN1
SCHEMBL626772 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHTTHDAC1HDAC6
SCHEMBL21091969 0.81 ALDH1A1 (0.88) ALDH1A1KDM4EHTTHDAC1HDAC6
SCHEMBL23754981 0.81 LSS (0.56) ALDH1A1KDM4EHTTHDAC6HDAC3
SCHEMBL9911471 0.80 ERCC1 (0.57) ALDH1A1KDM4EHTTHDAC1HDAC6
Hydrochloric Acid SCHEMBL28938255 0.80 ALDH1A1 (0.85) ALDH1A1KDM4EHTTHDAC1HDAC6
Trimethylammonium SCHEMBL993437 0.80 CYP2C19 (0.69) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL2571999 0.80 FFAR1 (0.52) ALDH1A1KDM4EHTTHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113337417-A Agrobacterium capable of efficiently degrading ethyl carbamate and application thereof 大连工业大学 2021-09-03 CN disclosed
CN-113174342-A Strain for efficiently degrading ethyl carbamate and application thereof 大连工业大学 2021-07-27 CN disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (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-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 ALDH1A1 467/4885KDM4E 3223/4885HTT 210/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 ALDH1A1 467/4885KDM4E 3223/4885HTT 210/4885

“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.