SCHEMBL22990318

SCHEMBL22990318

CCOc1cc(C(C)=O)ncc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP3A4 P08684 1/20 0.46
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL30525611 1.00 TSHR (0.46) TSHRCYP3A4CREBBPKDM4EASPH
SCHEMBL29698284 0.84 GABRA1 (0.49) KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL22978618 0.84 GABRA1 (0.49) KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL29743774 0.83 KDM4E (0.41) KDM4EASPHKDM8PTGS1HTT
SCHEMBL24510117 0.83 KDM4E (0.41) KDM4EASPHKDM8PTGS1HTT
SCHEMBL24510124 0.81 PDE4A (0.40) KDM4EASPHKDM8
SCHEMBL22980867 0.80 CYP3A4 (0.46) TSHRCYP3A4CREBBPHTT
SCHEMBL24510025 0.79 EPHX2 (0.39) KDM4EASPHKDM8
SCHEMBL24509364 0.79 PDE4A (0.44) KDM4EASPHKDM8ALK
SCHEMBL22978631 0.76 CYP3A4 (0.42) TSHRCYP3A4HSD17B10CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-03-28 US disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 WO disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 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 (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-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF WDR5, WDR1, WDR77 TSHR 4810/4885CYP3A4 2772/4885CREBBP 975/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 TSHR 4836/4885CYP3A4 4769/4885CREBBP 142/4885

“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.