SCHEMBL24239461

SCHEMBL24239461

CC(C)NCc1ccc(C(=O)C(C)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
ITGB1 P05556 2/20 0.41
ITGA5 P08648 2/20 0.41
KMT2A Q03164 3/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
DPP7 Q9UHL4 3/20 0.39
DPP8 Q6V1X1 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL12667380 0.86 ALDH1A1 (0.46) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL20850576 0.80 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL9911525 0.80 KMT2A (0.59) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL12674550 0.80 KMT2A (0.55) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL16868406 0.78 ALDH1A1 (0.55) ALDH1A1LMNACYP2C19SMN1; SMN2CHRM2
SCHEMBL21753375 0.78 SLC6A2 (0.46) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL9559796 0.78 ALDH1A1 (0.55) ALDH1A1LMNACYP2C19SMN1; SMN2CHRM2
SCHEMBL21152902 0.77 MAPT (0.46) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL3114984 0.77 LOXL2 (0.58) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL3271284 0.77 SIGMAR1 (0.48) ALDH1A1LMNACYP1A2ALOX15CYP2C19

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-20220033787-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY ENTRADA THERAPEUTICS, INC. 2022-02-03 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-20220033787-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY PYGB, FPGS, GLS2 ALDH1A1 4516/4885LMNA 2959/4885CYP1A2 4126/4885

“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.