SCHEMBL1799276

SCHEMBL1799276

NC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.64
CES1 P23141 4/20 0.64
PARP1 P09874 5/20 0.46
PTPN11 Q06124 1/20 0.42
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
Hydrochloric Acid SCHEMBL6831741 0.97 CES2 (0.61) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL15020381 0.84 CES2 (0.46) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL30326069 0.82 HDAC1 (0.59) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL811633 0.82 PARP1 (0.45) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL4346184 0.82 PTPN11 (0.53) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL628083 0.81 CES2 (0.43) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL1004335 0.80 HDAC1 (0.57) CES2CES1PARP1PTPN11CYP3A4
Ammonia Solution, Strong SCHEMBL30849240 0.80 PTPN11 (0.51) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL3783315 0.80 PARP1 (0.43) CES2CES1PARP1PTPN11CYP3A4
SCHEMBL2095495 0.79 CES2 (0.64) CES2CES1PARP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754797-B Synthesis method of 3,4, 5-trifluoro-bromobenzene 台州鸿都生物科技有限公司 2025-01-24 CN claimed
CN-118754797-A Synthesis method of 3,4, 5-trifluoro-bromobenzene 台州鸿都生物科技有限公司 2024-10-11 CN claimed
CN-117979712-A Wide-bandgap trans-perovskite solar cell and preparation method thereof 武汉理工大学 2024-05-03 CN claimed
JP-2002532414-A 2002-10-02 JP claimed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
EP-0993439-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-04-19 EP claimed
WO-1999001426-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 WO claimed
CN-118754797-B Synthesis method of 3,4, 5-trifluoro-bromobenzene 台州鸿都生物科技有限公司 2025-01-24 CN disclosed
CN-118754797-A Synthesis method of 3,4, 5-trifluoro-bromobenzene 台州鸿都生物科技有限公司 2024-10-11 CN disclosed
CN-117979712-A Wide-bandgap trans-perovskite solar cell and preparation method thereof 武汉理工大学 2024-05-03 CN disclosed
CN-117979712-A Wide-bandgap trans-perovskite solar cell and preparation method thereof 武汉理工大学 2024-05-03 CN disclosed
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
US-10738035-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20090105345-A1 AMIDE LINKED MODULATORS OF Gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-5565614-A FLUORINATION BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US 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 (3 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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 CES2 3854/4885CES1 1551/4885PARP1 2731/4885
US-10738035-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 CES2 2136/4885CES1 71/4885PARP1 2426/4885
US-20090105345-A1 AMIDE LINKED MODULATORS OF Gamma-SECRETASE BACE1, BACE2, APH1A CES2 844/4885CES1 123/4885PARP1 1159/4885

“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.