SCHEMBL4585776

SCHEMBL4585776

COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4584322 0.84 L3MBTL1 (0.49) KMT2AHDAC1HDAC6L3MBTL1HDAC3
SCHEMBL6952927 0.81 ALDH1A1 (0.47) KMT2AHDAC1HDAC6L3MBTL1HDAC3
SCHEMBL5703870 0.80 HDAC3 (0.42) KMT2AHDAC1L3MBTL1HDAC3HDAC2
SCHEMBL6378052 0.80 ALDH1A1 (0.47) KMT2AHDAC1HDAC6L3MBTL1HDAC3
SCHEMBL5703802 0.79 KMT2A (0.48) KMT2AHDAC1HDAC6L3MBTL1HDAC3
SCHEMBL4468550 0.79 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2593275 0.78 CRHBP (0.54) KMT2AHDAC1HDAC6L3MBTL1HDAC3
SCHEMBL6377823 0.77 ALDH1A1 (0.48) KMT2AHDAC1HDAC6L3MBTL1HDAC3
SCHEMBL2595558 0.77 KMT2A (0.47) KMT2AHDAC1HDAC6L3MBTL1HDAC3
SCHEMBL6378384 0.77 ALDH1A1 (0.48) KMT2AHDAC1HDAC6L3MBTL1HDAC3

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 KMT2A 630/4885HDAC1 1357/4885HDAC6 793/4885

“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.