SCHEMBL437286

SCHEMBL437286

COc1ccc2nc(C)cc(N)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.71
ALDH1A1 P00352 3/20 0.71
CASP1 P29466 1/20 0.71
CASP7 P55210 1/20 0.71
NQO2 P16083 1/20 0.65
POLB P06746 3/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 2/20 0.60
RAD52 P43351 1/20 0.57
NCF1 P14598 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 1/20 0.54
SLC2A1 P11166 1/20 0.52
PTPN11 Q06124 1/20 0.52
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
ALOX15 P16050 1/20 0.51
BLM P54132 1/20 0.51
GNG2 P59768 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
SCHEMBL438970 0.86 NR4A2 (0.60) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL3471999 0.83 ALDH1A1 (1.00) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL8103092 0.82 POLB (0.66) HSD17B10ALDH1A1NQO2POLBKDM4E
SCHEMBL4748820 0.82 ALDH1A1 (0.66) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL439655 0.82 ALDH1A1 (0.80) HSD17B10ALDH1A1CASP1CASP7POLB
SCHEMBL27906713 0.82 ALDH1A1 (0.65) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL1289610 0.81 BCHE (0.51) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL27588454 0.81 HSD17B10 (0.49) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL439264 0.81 HSD17B10 (0.64) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL27890180 0.80 ALDH1A1 (0.62) HSD17B10ALDH1A1CASP1CASP7NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454167-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-08-15 CN disclosed
CN-114057688-A Compound and coloring composition 住友化学株式会社 2022-02-18 CN disclosed
CN-113454167-A Coloring composition, compound, color filter and display device 住友化学株式会社 2021-09-28 CN disclosed
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 US disclosed
US-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 US disclosed
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2015-09-03 US disclosed
US-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 US disclosed
US-9000054-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2015-04-07 US disclosed
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 HSD17B10 3150/4885ALDH1A1 3324/4885CASP1 4658/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 HSD17B10 3150/4885ALDH1A1 3324/4885CASP1 4658/4885
US-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B10 1094/4885ALDH1A1 664/4885CASP1 2691/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B10 1094/4885ALDH1A1 664/4885CASP1 2691/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B10 1094/4885ALDH1A1 664/4885CASP1 2691/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B10 1094/4885ALDH1A1 664/4885CASP1 2691/4885

“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.