SCHEMBL1965898

SCHEMBL1965898

O=C(O)c1cccc(OC(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.63
AKR1C3 P42330 1/20 0.61
KMT2A Q03164 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
NR4A2 P43354 3/20 0.53
FOLH1 Q04609 1/20 0.53
ATM Q13315 1/20 0.52
KMO O15229 1/20 0.51
TAS2R14 Q9NYV8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL30744738 1.00 MRGPRX4 (0.63) MRGPRX4AKR1C3KMT2ANPSR1MEN1
SCHEMBL28976599 0.85 AKR1C3 (0.58) MRGPRX4AKR1C3KMT2ARAB9ANR4A2
SCHEMBL14033164 0.85 ATM (0.59) MRGPRX4AKR1C3KMT2ANPSR1MEN1
SCHEMBL30668123 0.85 ATM (0.59) MRGPRX4AKR1C3KMT2ANPSR1MEN1
SCHEMBL13906281 0.83 MRGPRX4 (0.62) MRGPRX4KMT2AMEN1MAPTRAB9A
SCHEMBL2277217 0.83 KMT2A (0.54) KMT2ANPSR1MEN1MAPTRAB9A
SCHEMBL2762181 0.83 PARP1 (0.62) KMT2ANPSR1MEN1MAPTRAB9A
SCHEMBL9567403 0.83 KMT2A (0.57) MRGPRX4KMT2ANPSR1MEN1MAPT
SCHEMBL27935297 0.82 AKR1C3 (0.63) MRGPRX4AKR1C3KMT2ARAB9ANR4A2
SCHEMBL978712 0.82 AKR1C3 (0.54) MRGPRX4AKR1C3KMT2ANPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US claimed
EP-4132933-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-02-15 EP claimed
CN-103992220-B A kind of preparation method of roflumilast intermediate INSTITUTE OF MATERIA MEDICA, SHANDONG ACADEMY OF MEDICAL SCIENCES (CN) 2015-11-18 CN claimed
CN-103992220-A Method for preparing roflumilast intermediate INST OF MATERIA MEDICA SHANDONG ACADEMY OF MEDICAL SCIENCES 2014-08-20 CN claimed
EP-4680226-A2 ACYLSULFONAMIDE KAT6A INHIBITORS Olema Pharmaceuticals, Inc. (US) 2026-01-21 EP disclosed
US-20250388604-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2025-12-25 US disclosed
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO disclosed
EP-4612134-A1 DIARYL DIAZOLE AND DIARYL TRIAZOLE DERIVATIVES FOR USE IN TREATING A DISEASE ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 EP disclosed
EP-4572762-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP disclosed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO disclosed
EP-0084893-B1 4H-3,1-BENZOXAZIN DERIVATIVES, METHODS FOR THEIR PREPARATION, AND THEIR USE FOR COMBATTING UNDESIRABLE VEGETATION BASF Aktiengesellschaft (DE) 1987-01-14 EP disclosed
US-RE32087-E 4H-3,1-Benzoxazine derivatives BASF AKTIENGESELLSCHAFT (DE) 1986-02-25 US disclosed
EP-0017931-B1 4H-3,1-BENZOXAZINE DERIVATIVES, METHODS OF THEIR PREPARATION AND THEIR USE IN COMBATING UNDESIRABLE VEGETATION BASF Aktiengesellschaft (DE) 1984-03-07 EP disclosed
EP-0084893-A2 4H-3,1-Benzoxazin derivatives, methods for their preparation, and their use for combatting undesirable vegetation BASF Aktiengesellschaft (DE) 1983-08-03 EP disclosed
US-4315766-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
EP-0017931-A2 4H-3,1-Benzoxazine derivatives, methods of their preparation and their use in combating undesirable vegetation BASF Aktiengesellschaft (DE) 1980-10-29 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 (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-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 MRGPRX4 776/4885AKR1C3 366/4885KMT2A 2100/4885
US-20250388604-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B MRGPRX4 1607/4885AKR1C3 431/4885KMT2A 3462/4885

“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.