SCHEMBL472405

SCHEMBL472405

O=Cc1ccc(C(F)(F)F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
PDE2A O00408 1/20 0.35
ERN1 O75460 5/20 0.35
CTSS P25774 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
NFKB1 P19838 1/20 0.32
KCNJ1 P48048 1/20 0.32
APP P05067 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL18199879 0.83 KIF11 (0.33) KIF11ERN1MEN1LMNATHRB
SCHEMBL9340566 0.82 KIF11 (0.42) KIF11ERN1CTSSPIM1PIM3
SCHEMBL622545 0.81 ERN1 (0.44) KIF11ERN1CTSSPIM1PIM3
SCHEMBL31306390 0.81 TDP1 (0.47) ERN1MEN1LMNATHRBBLM
SCHEMBL31306389 0.81 TDP1 (0.47) ERN1MEN1LMNATHRBBLM
SCHEMBL1806887 0.81 TDP1 (0.47) ERN1MEN1LMNATHRBBLM
SCHEMBL21384829 0.78 PDE2A (0.35) KIF11PDE2AAPP
SCHEMBL3250664 0.74 ERN1 (0.38) KIF11ERN1PIM1PIM3MEN1
SCHEMBL1167283 0.74 MIF (0.47) NFKB1
SCHEMBL1167281 0.74 MIF (0.47) NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. 2024-08-01 US disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20040171637-A1 Multifluoro-substituted chalcones and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-09-02 US disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 WO disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
WO-2002072544-A2 MULTIFLUORO-SUBSTITUTED CHALCONES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-09-19 WO disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO disclosed
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP disclosed
US-5041683-A Nuclear-fluorinated trifluoromethylbenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0396987-A2 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1990-11-14 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 (9 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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 KIF11 3135/4885PDE2A 3730/4885ERN1 3348/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 KIF11 2448/4885PDE2A 4404/4885ERN1 1853/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 KIF11 1692/4885PDE2A 1287/4885ERN1 3841/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 KIF11 3135/4885PDE2A 3730/4885ERN1 3348/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 KIF11 3921/4885PDE2A 3701/4885ERN1 1952/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 KIF11 1692/4885PDE2A 1287/4885ERN1 3841/4885
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT9 KIF11 2990/4885PDE2A 895/4885ERN1 1472/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 KIF11 2448/4885PDE2A 4404/4885ERN1 1853/4885
US-20040171637-A1 Multifluoro-substituted chalcones and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP6, CASP1 KIF11 3378/4885PDE2A 4650/4885ERN1 730/4885

“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.