SCHEMBL3584233

SCHEMBL3584233

O=CCN(Cc1cccnc1)C(=O)CCOCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TBXAS1 P24557 8/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL3587959 0.88 ALOX5 (0.44) KMT2AALDH1A1
SCHEMBL3578370 0.81 ALDH1A1 (0.45) PKMKMT2AALDH1A1TBXAS1CYP1A2
SCHEMBL3588896 0.81 MEN1 (0.47) KMT2A
SCHEMBL4664543 0.79 ADRB2 (0.72)
SCHEMBL3585614 0.77 ADRB2 (0.46) HDAC1HDAC8
SCHEMBL3590880 0.76 ADRB2 (0.54)
SCHEMBL3585178 0.75 PDPK1 (0.41) KMT2AHDAC3HDAC1HDAC6
SCHEMBL4216337 0.74 KMT2A (0.50) KMT2AALDH1A1
SCHEMBL3591454 0.73 ALOX5 (0.40) KMT2AALDH1A1SMN1; SMN2
SCHEMBL3598759 0.72 MEN1 (0.49) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 PKM 921/4885KMT2A 813/4885ALDH1A1 233/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 PKM 921/4885KMT2A 813/4885ALDH1A1 233/4885

“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.