SCHEMBL28497166

SCHEMBL28497166

NC(=O)COc1ccc(C(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
PDK2 Q15119 2/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
SCN9A Q15858 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TBXAS1 P24557 1/20 0.40
ATF4 P18848 1/20 0.39
FPR2 P25090 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL29540443 0.85 MRGPRX4 (0.56) MRGPRX4CHRNB2CHRNA4ALDH1A1TRPV4
SCHEMBL360071 0.85 MRGPRX4 (0.56) MRGPRX4CHRNB2CHRNA4ALDH1A1TRPV4
SCHEMBL31439461 0.84 MRGPRX4 (0.51) MRGPRX4CHRNB2CHRNA4ALDH1A1TRPV4
Trifluoroacetic Acid SCHEMBL31439609 0.81 MRGPRX4 (0.52) MRGPRX4CHRNB2CHRNA4ALDH1A1PLAAT3
SCHEMBL4762723 0.80 KIF11 (0.51) MRGPRX4CHRNB2CHRNA4TRPV4PLAAT3
SCHEMBL19555321 0.79 PSEN1 (0.51) MRGPRX4CHRNB2CHRNA4POLBALDH1A1
SCHEMBL31439603 0.79 PSEN1 (0.51) MRGPRX4CHRNB2CHRNA4POLBALDH1A1
SCHEMBL6507086 0.76 ALDH1A1 (0.68) MRGPRX4PDK2POLBBLMTDP1
SCHEMBL20974163 0.76 ATF4 (0.60) MRGPRX4ALDH1A1ATF4
SCHEMBL22617306 0.75 ATF4 (0.56) MRGPRX4ALDH1A1ATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993850-B Modulators of integrated stress response pathways 埃沃特克国际有限责任公司 2024-03-29 CN claimed
US-20220213078-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2022-07-07 US claimed
EP-3704094-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-03-11 EP disclosed
CN-118239937-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
CN-118239938-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
CN-113993850-B Modulators of integrated stress response pathways 埃沃特克国际有限责任公司 2024-03-29 CN disclosed
CN-111094233-B Compounds, compositions, and methods 戴纳立制药公司 2024-03-15 CN disclosed
US-20230144871-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2023-05-11 US disclosed
CN-115947681-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-04-11 CN disclosed
US-20220363678-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-11-17 US disclosed
CN-109641844-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-11-01 CN disclosed
US-20220213078-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2022-07-07 US disclosed
CN-112189008-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-05 CN 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-20220213078-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY CRH, AVPR2, CRHR2 MRGPRX4 437/4885PDK2 1317/4885CHRNB2 1931/4885
US-20230144871-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MRGPRX4 2411/4885PDK2 752/4885CHRNB2 3827/4885
US-20220363678-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MRGPRX4 2411/4885PDK2 752/4885CHRNB2 3827/4885

“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.