SCHEMBL24776531

SCHEMBL24776531

C=C1c2ccccc2C(=O)N1CCC(=O)CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL24687770 0.80 ALDH1A1 (0.47) KMT2AALDH1A1HPGDGAAHSD17B10
SCHEMBL13537849 0.79 CA12 (0.56) KMT2AALDH1A1HPGDGAAHSD17B10
SCHEMBL7828291 0.76 ANPEP (0.43) KMT2AALDH1A1HDAC8HDAC3HDAC4
SCHEMBL26077666 0.76 ALDH1A1 (0.47) KMT2AALDH1A1MEN1CA12CA9
SCHEMBL14594063 0.75 KMT2A (0.60) KMT2AALDH1A1HDAC8HDAC3HDAC4
SCHEMBL29620255 0.72 KMT2A (0.56) KMT2AALDH1A1HDAC8HDAC3HDAC4
SCHEMBL14302969 0.71 ALDH1A1 (0.51) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL15947735 0.71 KDM4E (0.54) KMT2AALDH1A1HDAC8HDAC3HDAC4
SCHEMBL22595590 0.71 GLS (0.47) ALDH1A1CA12CA9SMN1; SMN2MAPT
SCHEMBL8118590 0.71 ALDH1A1 (0.55) KMT2AALDH1A1HDAC8HDAC3HDAC4

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-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-22 — — 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-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB KMT2A 2167/4885ALDH1A1 1089/4885HDAC8 2732/4885

“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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