SCHEMBL22628029

SCHEMBL22628029

C=C(CCNC(=O)c1cc(C)ccn1)NC(=O)COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ SENP2 Q9HC62 1/20 0.38

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
SCHEMBL25817460 0.92 ALDH1A1 (0.42) ALDH1A1RXFP1KMT2AMEN1POLB
SCHEMBL22956500 0.89 ALDH1A1 (0.41) ALDH1A1RXFP1KMT2AMEN1GRIN1
SCHEMBL22627744 0.88 ALDH1A1 (0.41) ALDH1A1RXFP1KMT2AMEN1GRIN1
SCHEMBL22627794 0.87 LOXL2 (0.43) ALDH1A1RXFP1KMT2AMEN1GRIN1
SCHEMBL22628325 0.86 HDAC3 (0.42) ALDH1A1RXFP1KMT2AMEN1GRIN1
SCHEMBL22627769 0.86 ALDH1A1 (0.38) ALDH1A1RXFP1KMT2AMEN1GRIN1
SCHEMBL22956381 0.85 ROCK2 (0.44) ALDH1A1RXFP1KMT2AMEN1GRIN1
SCHEMBL25800449 0.85 ALDH1A1 (0.45) ALDH1A1RXFP1KMT2AMEN1POLB
SCHEMBL22628364 0.83 MAOB (0.46) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL22628358 0.83 RXFP1 (0.44) ALDH1A1RXFP1KMT2AMEN1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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 3433/4885RXFP1 2368/4885KMT2A 4320/4885

“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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