SCHEMBL5614890

SCHEMBL5614890

[c]1nc2c(-c3nc4ccccc4o3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.53
ALDH1A1 P00352 9/20 0.43
NPC1 O15118 8/20 0.43
HPGD P15428 7/20 0.43
KDM4E B2RXH2 7/20 0.43
RAB9A P51151 7/20 0.43
TP53 P04637 6/20 0.43
HSD17B10 Q99714 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KDM6B O15054 1/20 0.43
KDM6A O15550 1/20 0.43
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 3/20 0.41

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
SCHEMBL29563651 0.77 TOP2A (0.82) TOP2AALDH1A1NPC1HPGDKDM4E
SCHEMBL1223141 0.77 TOP2A (0.82) TOP2AALDH1A1NPC1HPGDKDM4E
SCHEMBL5202659 0.75 TOP2A (0.57) TOP2AALDH1A1NPC1HPGDKDM4E
SCHEMBL1136612 0.75 MAOB (0.48) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL4623912 0.75 METAP2 (0.35) ALDH1A1NPC1KDM4EHSD17B10MAPT
SCHEMBL171055 0.75 TOP2A (0.62) TOP2AALDH1A1NPC1HPGDKDM4E
SCHEMBL29504749 0.75 TOP2A (0.62) TOP2AALDH1A1NPC1HPGDKDM4E
SCHEMBL6746143 0.74 NPC1 (0.55) ALDH1A1NPC1HPGDKDM4ERAB9A
SCHEMBL12854009 0.73 TOP2A (0.60) TOP2AALDH1A1NPC1HPGDKDM4E
SCHEMBL787149 0.72 TOP2A (0.53) TOP2AALDH1A1NPC1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827860-A Peptidyl heterocycles useful in the treatment of thrombin related disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US claimed
CN-118251492-A PMP 22-targeting compounds for the treatment of summer-Mary-Tuber disease 诺华股份有限公司 2024-06-25 CN disclosed
CN-117957320-A NRL-targeting compounds for the treatment of retinitis pigmentosa 诺华股份有限公司 2024-04-30 CN disclosed
CN-117479935-A Benzothiazole and quinoline derivatives for the treatment of kawasaki disease 上海药苑生物科技有限公司 2024-01-30 CN disclosed
CN-116903600-A Condensed ring compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-10-20 CN disclosed
CN-109476616-B Piperazinyl methanone NAAA inhibitors 加利福尼亚大学董事会 2023-10-13 CN disclosed
CN-116685586-A Benzothiazole and quinoline derivatives and uses thereof 上海药苑生物科技有限公司 2023-09-01 CN disclosed
CN-109071455-B Compounds and methods for modulating bruton's tyrosine kinase 嘉兴和剂药业有限公司 2022-08-02 CN disclosed
CN-114375296-A Nucleic acid polypeptide compositions and uses thereof 艾维迪提生物科学公司 2022-04-19 CN disclosed
CN-114375297-A UNA imides and uses thereof 艾维迪提生物科学公司 2022-04-19 CN disclosed
CN-113166191-A Lipid-modified nucleic acid compounds and methods DTX医药有限公司 2021-07-23 CN disclosed
US-10822353-B2 Dithio ETP derivatives CITY OF HOPE (US) 2020-11-03 US disclosed
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-06-11 US disclosed
CN-110785414-A K-Ras modulators 加利福尼亚大学董事会 2020-02-11 CN disclosed
CN-109476616-A Piperazinyl methanone NAAA inhibitor 加利福尼亚大学董事会 2019-03-15 CN disclosed
CN-109071455-A COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE 科尔沃斯制药股份有限公司 2018-12-21 CN disclosed
US-20170152362-A1 FUNCTIONAL POLYMER MEMBRANE, STACK OR DEVICE PROVIDED WITH FUNCTIONAL POLYMER MEMBRANE, AND METHOD OF PRODUCING FUNCTIONAL POLYMER MEMBRANE FUJIFILM CORPORATION (JP) 2017-06-01 US disclosed
WO-2007037540-A1 CELLULOSE ACYLATE FILM, METHOD FOR PRODUCING SAME, OPTICALLY COMPENSATORY FILM, ANTI-REFLECTION FILM, POLARIZING PLATE AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-04-05 WO disclosed
US-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-08-01 US disclosed
US-4877720-A PHOTOGRAPHIC POLYMER WHICH UNDERGOES REDUCTION UPON DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 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 (3 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-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 TOP2A 2248/4885ALDH1A1 3412/4885NPC1 1013/4885
US-10822353-B2 Dithio ETP derivatives ETV1, ETV6, DLD TOP2A 69/4885ALDH1A1 1114/4885NPC1 3265/4885
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 TOP2A 4308/4885ALDH1A1 2135/4885NPC1 579/4885

“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.