SCHEMBL1766098

SCHEMBL1766098

COCCNCC(OC)OC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.32
ADRB2 P07550 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL27838365 0.89 KDM4E (0.40) L3MBTL1POLBKDM4ERECQLALDH1A1
SCHEMBL6525329 0.86 ALDH1A1 (0.39) L3MBTL1KDM4ERECQLALDH1A1TSHR
SCHEMBL24308002 0.79 KDM4E (0.36) L3MBTL1POLBKDM4ERECQLALDH1A1
SCHEMBL7290876 0.78
SCHEMBL12801250 0.78
SCHEMBL9407518 0.77 L3MBTL1 (0.41) L3MBTL1POLBKDM4ERECQLALDH1A1
SCHEMBL9546919 0.77
SCHEMBL6525778 0.77 ANPEP (0.39)
SCHEMBL17065937 0.75
SCHEMBL21244317 0.75 CA12 (0.43) KDM4ERECQLALDH1A1TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296931-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-09-25 US disclosed
EP-4558483-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
CN-119546576-A Novel isoquinolinones pyrrolo-pyridones and thieno pyridone sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN disclosed
WO-2024017856-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
EP-2318378-B1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2013-10-23 EP disclosed
EP-2318378-B1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2013-10-23 EP disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US disclosed
WO-2010002845-A2 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-07 WO disclosed
WO-2010002845-A2 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-07 WO disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 L3MBTL1 1220/4885POLB 619/4885KDM4E 379/4885
US-20100009958-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL L3MBTL1 1021/4885POLB 2801/4885KDM4E 904/4885
US-20250296931-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES SULT1E1, XDH, PRXL2A L3MBTL1 4824/4885POLB 1497/4885KDM4E 2689/4885
US-20130217661-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL L3MBTL1 1021/4885POLB 2801/4885KDM4E 904/4885

“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.