SCHEMBL5458671

SCHEMBL5458671

O=CNn1cnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
FGFR1 P11362 3/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TNF P01375 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
ASAH1 Q13510 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL6256819 0.79 HSD17B10 (0.44) HSD17B10ALOX15TDP1FGFR1HTT
SCHEMBL15022038 0.78 TDP1 (0.52) HSD17B10ALOX15TDP1FGFR1HTT
SCHEMBL4258614 0.75 ALDH1A1 (0.46) HSD17B10ALOX15TDP1FGFR1HTT
SCHEMBL1488096 0.75 TDP1 (0.48) HSD17B10ALOX15TDP1FGFR1HTT
SCHEMBL1800353 0.75 TDP1 (0.48) HSD17B10ALOX15TDP1FGFR1HTT
SCHEMBL15401045 0.74 TDP1 (0.48) HSD17B10ALOX15TDP1HTTCYP1A2
SCHEMBL204727 0.73 ALOX15 (0.64) HSD17B10ALOX15FGFR1HTTCYP1A2
SCHEMBL9631161 0.73 NPSR1 (0.47) HTTSMN1; SMN2POLB
SCHEMBL239691 0.72 HTT (0.48) HSD17B10ALOX15TDP1HTTCYP1A2
SCHEMBL707209 0.71 ALOX15 (0.58) HSD17B10ALOX15TDP1FGFR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294754-A Pyrido benzimidazole cysteine ratio probes and its application 泰山医学院 2019-10-01 CN claimed
CN-101212903-B Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity SHIONOGI & CO 2013-07-24 CN claimed
CN-101212903-A Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity SMITHKLINE BEECHAM CORP (US) 2008-07-02 CN claimed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP claimed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US claimed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP claimed
CN-110294754-A Pyrido benzimidazole cysteine ratio probes and its application 泰山医学院 2019-10-01 CN disclosed
CN-110294754-A Pyrido benzimidazole cysteine ratio probes and its application 泰山医学院 2019-10-01 CN disclosed
CN-105646331-B Piperidine compounds, the medical composition and its use containing the compound 爱思开生物制药株式会社 2018-07-03 CN disclosed
CN-107744795-A A kind of hydrogenation-dechlorination catalyst converter 徐州工程学院 2018-03-02 CN disclosed
WO-2015073736-A1 METHODS AND COMPOSITIONS FOR TREATING ADHD ARBOR PHARMACEUTICALS, LLC (US) 2015-05-21 WO disclosed
US-20150133516-A1 Methods and Compositions for Treating ADHD ARBOR PHARMACEUTICALS, INC. 2015-05-14 US disclosed
CN-101212903-B Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity SHIONOGI & CO 2013-07-24 CN disclosed
US-4283486-A DISCOLORATION INHIBITION FUJI PHOTO FILM CO., LTD. (JP) 1981-08-11 US disclosed
US-4264722-A A COLORLESS CYAN-COLOR-FORMING COUPLER COMPRISING 4-OXY-DERIVATIVES OF 1-HYDROXY-2-SEC-AMIDO-NAPHTHALENE OR BENZENE FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US disclosed
US-4254212-A ALKOXY SUBSTITUTED SULFONYL FUJI PHOTO FILM CO., LTD. (JP) 1981-03-03 US disclosed
US-4228233-A CYAN DYE FORMING, COLORLESS COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1980-10-14 US disclosed
US-4217410-A CYAN DYE COUPLER, PHOSPHATE SOLVENTS FUJI PHOTO FILM CO., LTD. (JP) 1980-08-12 US disclosed
US-4072525-A COLOR PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1978-02-07 US disclosed
US-4032345-A SILVER HALIDE MATERIALS CONTAINING PHOTOGRAPHIC COLOR COUPLERS WITH ISOTHIOCYANATO GROUPS FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 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 (2 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-20150133516-A1 Methods and Compositions for Treating ADHD ADRA2C, ADRA2A, ADRB2 HSD17B10 1069/4885ALOX15 1839/4885TDP1 2064/4885
US-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 HSD17B10 25/4885ALOX15 418/4885TDP1 1261/4885

“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.