SCHEMBL4049273

SCHEMBL4049273

CCOC(=O)c1ccc(-n2cccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
HPGD P15428 2/20 0.63
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
HSP90AA1 P07900 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56

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
SCHEMBL8577896 0.87 HTT (0.65) HTTHPGDALDH1A1TDP1HSP90AA1
SCHEMBL27362411 0.82 HPGD (0.59) HTTHPGDALDH1A1TDP1HSP90AA1
SCHEMBL7830321 0.82 SMN1; SMN2 (0.56) ALDH1A1NPSR1LMNAAOC2SMN1; SMN2
SCHEMBL5733855 0.81 HTT (0.61) HTTHPGDALDH1A1TDP1HSP90AA1
Benzene SCHEMBL27873122 0.81 CA1 (0.76) HTTHPGDALDH1A1TDP1HSP90AA1
SCHEMBL87450 0.81 CA1 (0.83) HTTHPGDALDH1A1TDP1HSP90AA1
SCHEMBL3593570 0.81 HTT (0.57) HTTHPGDALDH1A1TDP1HSP90AA1
SCHEMBL2240089 0.80 HTT (0.63) HTTHPGDALDH1A1TDP1NPSR1
SCHEMBL5800533 0.80 HTT (0.71) HTTHPGDALDH1A1TDP1HSP90AA1
SCHEMBL7746905 0.79 CA1 (0.79) HTTHPGDALDH1A1TDP1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956242-B Photosensitizer for inducing immunogenic cell death and preparation method and application thereof 天津工业大学 2022-09-02 CN claimed
CN-113956242-A Photosensitizer for inducing immunogenic cell death and preparation method and application thereof 天津工业大学 2022-01-21 CN claimed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
CN-115181107-B Indolopyrrole derivative and preparation method and application thereof 广东天龙油墨有限公司 2023-09-15 CN disclosed
CN-115181107-A Indolopyrrole derivative and preparation method and application thereof 广东天龙油墨有限公司 2022-10-14 CN disclosed
CN-113956242-B Photosensitizer for inducing immunogenic cell death and preparation method and application thereof 天津工业大学 2022-09-02 CN disclosed
US-11230534-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2022-01-25 US disclosed
US-11230534-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2022-01-25 US disclosed
CN-113956242-A Photosensitizer for inducing immunogenic cell death and preparation method and application thereof 天津工业大学 2022-01-21 CN disclosed
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2016-08-18 US disclosed
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2016-08-18 US disclosed
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2016-08-18 US disclosed
WO-2016130952-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2016-08-18 WO disclosed
WO-2016130952-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2016-08-18 WO disclosed
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
WO-2013071232-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 WO disclosed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 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 (4 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-11230534-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A HTT 3319/4885HPGD 1669/4885ALDH1A1 734/4885
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A HTT 3319/4885HPGD 1669/4885ALDH1A1 734/4885
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules TBL2, TBL3, TBL1XR1 HTT 1650/4885HPGD 4676/4885ALDH1A1 4448/4885
US-11773068-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A HTT 3319/4885HPGD 1669/4885ALDH1A1 734/4885

“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.