SCHEMBL22627562

SCHEMBL22627562

C=C(CCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(OCCO)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ GRIN1 Q05586 4/20 0.43
▸ GRIN2B Q13224 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ GBA1 P04062 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL22627582 0.92 ALDH1A1 (0.42) ALDH1A1TDP1KMT2AEPHX2
SCHEMBL22956133 0.87 TDP1 (0.56) ALDH1A1GRIN1GRIN2BTDP1GBA1
SCHEMBL22627852 0.86 TRPV1 (0.43) ALDH1A1GRIN1GRIN2BTDP1GBA1
SCHEMBL25803379 0.83 TDP1 (0.42) ALDH1A1GRIN1GRIN2BTDP1GBA1
SCHEMBL22628294 0.81 RXFP1 (0.57) ALDH1A1GRIN1GRIN2BKMT2ATAOK1
SCHEMBL25796969 0.81 TDP1 (0.43) ALDH1A1TDP1KMT2ARXFP1HPGD
SCHEMBL22956490 0.81 HPGD (0.40) TDP1KMT2ASMN1; SMN2EPHX2HPGD
SCHEMBL25808242 0.80 GRIN1 (0.47) ALDH1A1GRIN1GRIN2BGBA1KMT2A
SCHEMBL22627559 0.80 ATF4 (0.41) ALDH1A1TDP1EPHX2
SCHEMBL25799259 0.80 ALDH1A1 (0.40) ALDH1A1TDP1KMT2ARXFP1

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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 — — 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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ALDH1A1 3433/4885GRIN1 1690/4885GRIN2B 2324/4885

“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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