SCHEMBL22211759

SCHEMBL22211759

Cc1ccc(C(F)(F)F)nc1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CXCR4 P61073 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
PTGS2 P35354 10/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PTGS1 P23219 3/20 0.33
NT5E P21589 1/20 0.33
LMNA P02545 1/20 0.33
IDH1 O75874 1/20 0.32
IDH2 P48735 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
SCHEMBL19143739 0.83 TDP1 (0.33) TDP1
SCHEMBL8008974 0.80 TDP1 (0.36) TDP1KDM4E
SCHEMBL17986994 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4ECXCR4TRPV4
SCHEMBL1584056 0.77 NOS3 (0.44) HSP90AA1HSP90AB1KDM4ECXCR4TRPV4
SCHEMBL12051879 0.77 TDP1 (0.34) TDP1
Ammonia Solution, Strong SCHEMBL16346859 0.77 HSP90AA1 (0.42) HSP90AA1HSP90AB1KDM4ECXCR4TRPV4
SCHEMBL19450884 0.76 HSP90AA1 (0.36) HSP90AA1HSP90AB1TDP1KDM4ECXCR4
SCHEMBL19155972 0.76 LMNA (0.36) HSP90AA1HSP90AB1KDM4ECXCR4TRPV4
SCHEMBL30063891 0.76 TRPV4 (0.35) KDM4ETRPV4PTGS2PDE2APTGS1
SCHEMBL755969 0.76 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4ECXCR4TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2025-03-20 US disclosed
WO-2024233665-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
CN-117651699-A Compounds and compositions for the treatment of coronavirus related diseases 诺华股份有限公司 2024-03-05 CN disclosed
WO-2023002409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2023-01-26 WO disclosed
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 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 (1 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-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES ACE2, ACE, TMPRSS2 HSP90AA1 4558/4885HSP90AB1 4537/4885TDP1 3482/4885

“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.