SCHEMBL25950800

SCHEMBL25950800

CC(=O)c1cc(Cl)cc(C(C)(C)C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ AKR1C4 P17516 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ GLRA3 O75311 1/20 0.33
▸ GLRB P48167 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ LMNA P02545 2/20 0.33

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
SCHEMBL25952739 0.85 CYP3A4 (0.53) CYP3A4MAPK1ALDH1A1GAAKDM4E
SCHEMBL31591119 0.83 TMPRSS4 (0.41) CYP3A4KDM4EP2RX1AKR1C4AKR1C3
SCHEMBL10256214 0.81 NR1H4 (0.49) NR1H4MAOBCA12CA9MAPK1
SCHEMBL25950783 0.78 TSHR (0.43) CYP3A4MAPK1ALDH1A1GAATDP1
SCHEMBL25952613 0.76 MAPK1 (0.43) MAOBCA12CA9MAPK1ALDH1A1
SCHEMBL5276291 0.75 ALDH1A1 (0.48) CYP3A4MAOBMAPK1ALDH1A1MAOA
SCHEMBL12251322 0.73 MAPK1 (0.41) NR1H4CYP3A4MAOBMAPK1ALDH1A1
SCHEMBL18511684 0.73 CA2 (0.43) NR1H4ALDH1A1TDP1
SCHEMBL9246935 0.72 AKR1C2 (0.58) CYP3A4ALDH1A1GAATDP1KDM4E
SCHEMBL10395928 0.72 ALDH1A1 (0.38) NR1H4ALDH1A1GAATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 — — 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 (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-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B NR1H4 840/4885CYP3A4 647/4885MAOB 3063/4885

“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.

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