SCHEMBL1401009

SCHEMBL1401009

CCc1cccc2oc(=O)c(CN)c(CC)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.44
NQO1 P15559 3/20 0.39
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4D Q08499 1/20 0.35
PCSK7 Q16549 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL11230576 0.94 ELANE (0.44) ELANENQO1ALDH1A1MEN1ABCB11
SCHEMBL9502514 0.82 ELANE (0.49) ELANENQO1ALDH1A1KDM4EHSD17B10
SCHEMBL4867725 0.80 ELANE (0.47) ELANENQO1ALDH1A1MEN1CYP1A2
SCHEMBL28351931 0.75 ELANE (0.46) ELANENQO1ALDH1A1PKMKDM4E
SCHEMBL10795690 0.73 NQO1 (0.48) NQO1ALDH1A1MEN1ABCB11LMNA
SCHEMBL5613862 0.71 NQO1 (0.40) ELANENQO1ALDH1A1MEN1ABCB11
SCHEMBL2554785 0.70 GABRA1 (0.50) ELANEGABRA1GABRB2
SCHEMBL10791541 0.69 HSD17B3 (0.46) NQO1ALDH1A1MEN1ABCB11LMNA
Hydrochloric Acid SCHEMBL10351311 0.68 GABRA1 (0.48) ELANEGABRA1GABRB2
SCHEMBL10794643 0.68 MAPT (0.52) NQO1ALDH1A1MEN1LMNACYP1A2

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
US-9188590-B2 Labeled transition metal complexes LEICA BIOSYSTEMS NEWCASTLE LTD. (GB) 2015-11-17 US disclosed
US-20120122804-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110207123-A1 METHOD FOR DETECTING CHROMOSOMAL ABNORMALITIES ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2011-08-25 US disclosed
US-20110065687-A1 HYDRAZIDE COMPOUNDS AND USES THEREOF SENHWA BIOSCIENCES, INC. (TW) 2011-03-17 US disclosed
EP-1828777-B1 LABELED TRANSITION METAL COMPLEXES KREATECH BIOTECH BV (NL) 2011-03-02 EP disclosed
US-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100155590-A1 LABELED TRANSITION METAL COMPLEXES KREATCH BIOTECHNOLOGY B.V. (NL) 2010-06-24 US disclosed
US-20100063046-A1 TETRACYCLIC IMIDAZOLE ANALOGS SENHWA BIOSCIENCES, INC. (TW) 2010-03-11 US disclosed
US-7612063-B2 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
WO-2006062391-A1 LABELED TRANSITION METAL COMPLEXES KREATECH BIOTECHNOLOGY B.V. (NL) 2006-06-15 WO disclosed
US-20060074089-A1 Quinolone analogs SENHWA BIOSCIENCES, INC. (TW) 2006-04-06 US disclosed
WO-2006034113-A2 QUINOLONE ANALOGS AS CELL PROLIFERATION INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
US-20060029950-A1 Substituted quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-02-09 US disclosed
EP-1610759-A2 SUBSTITUTED QUINOBENZOXAZINE ANALOGS Cylene Pharmaceuticals, Inc. (US) 2006-01-04 EP disclosed
EP-1610795-A2 HETEROCYCLIC SUBSTITUTED 1,4-DIHYDRO-4-OXO-1,8-NAPHTHPYRIDINE ANALOGS Cylene Pharmaceuticals, Inc. (US) 2006-01-04 EP disclosed
US-20050085468-A1 Substituted quinobenzoxazine analogs CYLENE PHARMACEUTICALS 2005-04-21 US disclosed
US-20050004160-A1 Heterocyclic substituted 1,4-dihydri-4-0x9-1,8-naphthyridine analogs CYLENE PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004091627-A2 HETEROCYCLIC SUBSTITUTED 1,4-DIHYDRO-4-OXO-1,8-NAPHTHPYRIDINE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
WO-2004091504-A2 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2004-10-28 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 (7 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 ELANE 743/4885NQO1 30/4885ALDH1A1 553/4885
US-20050004160-A1 Heterocyclic substituted 1,4-dihydri-4-0x9-1,8-naphthyridine analogs CYP2C9, CYP4X1, UGT1A9 ELANE 2378/4885NQO1 22/4885ALDH1A1 282/4885
US-20100063046-A1 TETRACYCLIC IMIDAZOLE ANALOGS BAD, API5, MCL1 ELANE 2962/4885NQO1 1382/4885ALDH1A1 3035/4885
US-20120122804-A1 SUBSTITUTED QUINOBENZOXAZINE ANALOGS CYP3A5, UGT2B7, CYP2D6 ELANE 743/4885NQO1 30/4885ALDH1A1 553/4885
US-20060074089-A1 Quinolone analogs NQO2, BAX, MCL1 ELANE 2340/4885NQO1 7/4885ALDH1A1 2050/4885
US-20100155590-A1 LABELED TRANSITION METAL COMPLEXES CD63, ABCB7, TMT1A ELANE 3539/4885NQO1 317/4885ALDH1A1 915/4885
US-20110065687-A1 HYDRAZIDE COMPOUNDS AND USES THEREOF EIF2AK2, DDX21, POLI ELANE 3049/4885NQO1 1088/4885ALDH1A1 3894/4885

“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.