SCHEMBL29532166

SCHEMBL29532166

[2H]C(C)(CNC(=O)CCCC)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.62
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ACER2 Q5QJU3 1/20 0.50
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 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
SCHEMBL6646425 0.84 ASAH1 (0.68) ASAH1NPSR1HPGDALDH1A1ACER2
SCHEMBL17343770 0.82 ASAH1 (0.89) ASAH1NPSR1HPGDALDH1A1ACER2
SCHEMBL4987614 0.81 ASAH1 (0.63) ASAH1NPSR1HPGDALDH1A1ACER2
SCHEMBL18741947 0.80 ASAH1 (0.76) ASAH1NPSR1HPGDALDH1A1ACER2
SCHEMBL8335749 0.77 ASAH1 (1.00) ASAH1ALDH1A1ACER2EPHX2SMN1; SMN2
SCHEMBL9848372 0.73 ASAH1 (0.69) ASAH1ALDH1A1ACER2EPHX2MEN1
SCHEMBL9848444 0.73 ASAH1 (0.69) ASAH1ALDH1A1ACER2EPHX2MEN1
SCHEMBL9843976 0.73 NPSR1 (0.77) ASAH1NPSR1HPGDALDH1A1ACER2
SCHEMBL25442176 0.73 HPGD (0.57) ASAH1HPGDPOLB
SCHEMBL9848496 0.72 ASAH1 (0.67) ASAH1ALDH1A1ACER2EPHX2MEN1

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
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 US disclosed
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 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 (2 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-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 ASAH1 4414/4885NPSR1 3813/4885HPGD 3722/4885
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF CUL4B, CUL4A, UBQLN1 ASAH1 4414/4885NPSR1 3813/4885HPGD 3722/4885

“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.