SCHEMBL3801958

SCHEMBL3801958

CC(C)(C)OC(=O)c1cc[nH]c1Oc1ccc(O)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.35
PKM P14618 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
ESRRA P11474 1/20 0.33
CHEK1 O14757 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 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
SCHEMBL1566864 0.72 CA12 (0.38) ALDH1A1SMN1; SMN2TDP1EGFRCA12
SCHEMBL1121892 0.70 ALOX15 (0.51) ALDH1A1GAAMAPTMEN1RECQL
SCHEMBL1320587 0.69 ELANE (0.32) ALDH1A1SMN1; SMN2TDP1EGFRCA12
SCHEMBL1316195 0.69 PARP10 (0.41) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6017086 0.67 ADRA1A (0.33) ALDH1A1MAPTKMT2ASMN1; SMN2CA12
SCHEMBL2616107 0.67 CYP3A4 (0.55) ALDH1A1GAAMAPTMEN1RECQL
SCHEMBL31656211 0.67 CYP3A4 (0.55) ALDH1A1GAAMAPTMEN1RECQL
SCHEMBL29935746 0.66 ALDH1A1 (0.65) ALDH1A1GAAMAPTMEN1RECQL
SCHEMBL29462465 0.66 ALDH1A1 (0.65) ALDH1A1GAAMAPTMEN1RECQL
SCHEMBL335539 0.66 ALDH1A1 (0.65) ALDH1A1GAAMAPTMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122804-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110065687-A1 HYDRAZIDE COMPOUNDS AND USES THEREOF SENHWA BIOSCIENCES, INC. (TW) 2011-03-17 US disclosed
US-7612063-B2 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7507727-B2 Substituted quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. (US) 2009-03-24 US disclosed
WO-2008131134-A1 HYDRAZIDE COMPOUNDS AND USES THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2008-10-30 WO disclosed
US-20080261963-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYLENE PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-7381720-B2 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-7354916-B2 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS (US) 2008-04-08 US disclosed
US-7326702-B2 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
EP-1773346-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
US-20070043039-A1 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. 2007-02-22 US disclosed
US-7141565-B1 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
US-20060229303-A1 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. 2006-10-12 US disclosed
WO-2006078317-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
US-20060029950-A1 Substituted quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-02-09 US disclosed
US-20050085468-A1 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS 2005-04-21 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 (6 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-20050085468-A1 Substituted quinobenzoxazine analogs CYP3A5, UGT2B7, CYP2D6 ALDH1A1 553/4885GAA 325/4885MAPT 3632/4885
US-20060229303-A1 Substituted quinobenzoxazine analogs CYP3A5, UGT2B7, CYP2D6 ALDH1A1 553/4885GAA 325/4885MAPT 3632/4885
US-20080261963-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYP3A5, UGT2B7, CYP2D6 ALDH1A1 553/4885GAA 325/4885MAPT 3632/4885
US-20120122804-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYP3A5, UGT2B7, CYP2D6 ALDH1A1 553/4885GAA 325/4885MAPT 3632/4885
US-20070043039-A1 Substituted quinobenzoxazine analogs TP53, CCNY, ACIN1 ALDH1A1 855/4885GAA 478/4885MAPT 4052/4885
US-20110065687-A1 HYDRAZIDE COMPOUNDS AND USES THEREOF EIF2AK2, DDX21, POLI ALDH1A1 3894/4885GAA 1553/4885MAPT 4070/4885

“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.