SCHEMBL23182731

SCHEMBL23182731

O=C(COc1ccc(Cl)cc1)NCCC1(NC(=O)Cc2ccc(Cl)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 6/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 1/20 0.49
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL23383717 0.83 ATF4 (0.49) ATF4KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL21390276 0.80 ATF4 (0.53) ATF4KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL22956668 0.79 TDP1 (0.52) ATF4KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL20582511 0.77 ATF4 (0.84) ATF4MEN1KMT2A
SCHEMBL23182732 0.73 HTT (0.52) KDM4ECYP1A2CYP2C9CYP2C19HTT
SCHEMBL22669498 0.73 MEN1 (0.67) ATF4KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3183655 0.72 ALDH1A1 (0.54) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL16082992 0.72 KMT2A (0.66) ATF4KDM4EHTTSMN1; SMN2MEN1
SCHEMBL10090423 0.72 RAB9A (0.70) ATF4KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL21621101 0.71 KDM4E (0.56) ATF4KDM4ECYP1A2CYP2C9CYP2C19

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-20210093619-A1 Chemical Compounds as ATF-4 Pathway Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-01 — — 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-20210093619-A1 Chemical Compounds as ATF-4 Pathway Inhibitors ATF4, ATF1, XBP1 ATF4 1/4885KDM4E 2914/4885CYP1A2 2879/4885

“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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