SCHEMBL465617

SCHEMBL465617

O=[C]c1cccc([C]=O)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
GRM5 P41594 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRM1 Q13255 1/20 0.32

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
SCHEMBL4263371 0.82
SCHEMBL4755029 0.82
SCHEMBL4262658 0.82
SCHEMBL4260755 0.82
SCHEMBL2519386 0.82
SCHEMBL3086121 0.77 BTK (0.41) KDM4EALDH1A1HPGDTDP1
SCHEMBL5160219 0.77 KDM4E (0.64) KDM4EALOX15MEN1KMT2ATSHR
SCHEMBL2514328 0.77 P2RX7 (0.43) CYP3A4TSHR
SCHEMBL2323956 0.72 SCN9A (0.41) CYP3A4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8924848 0.71 MAPT (0.49) CYP3A4GRM5KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459415-B1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC (US) 2008-12-02 US claimed
EP-1588691-B1 Permanent hair shaping composition containing a reducing agent and a photo-oxidant OREAL (FR) 2008-01-09 EP claimed
US-20030138670-A1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC 2003-07-24 US claimed
US-3931142-A Heterocyclic containing disazo compounds CIBA-GEIGY AG (CH) 1976-01-06 US claimed
WO-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 US disclosed
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2024-01-09 US disclosed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed
US-20230139442-A1 MODIFIED AMINO ACIDS SUTRO BIOPHARMA, INC. 2023-05-04 US disclosed
EP-4174068-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME Holosmedic (KR) 2023-05-03 EP disclosed
CN-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 CN disclosed
WO-2005003147-A2 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2005-01-13 WO disclosed
WO-2004046331-A2 2’-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION IDENIX (CAYMAN) LIMITED (KY) 2004-06-03 WO disclosed
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004002422-A2 2’-C-METHYL-3’-O-L-VALINE ESTER RIBOFURANOSYL CYTIDINE FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-2004002999-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-2004003000-A2 1’-, 2'- AND 3'- MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
US-20030138670-A1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC 2003-07-24 US disclosed
US-3931142-A Heterocyclic containing disazo compounds CIBA-GEIGY AG (CH) 1976-01-06 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 (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-11866515-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG CYP3A4 545/4885GRM5 4019/4885KDM4E 3122/4885
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 CYP3A4 4743/4885GRM5 2239/4885KDM4E 3814/4885
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections NSUN2, BCDIN3D, METTL16 CYP3A4 1152/4885GRM5 1964/4885KDM4E 148/4885
US-20230139442-A1 MODIFIED AMINO ACIDS PTMS, DNPEP, ANPEP CYP3A4 4714/4885GRM5 2013/4885KDM4E 2799/4885

“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.