SCHEMBL2949896

SCHEMBL2949896

O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CHRM4 P08173 2/20 0.48
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.44

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
SCHEMBL4166775 0.76 HDAC1 (0.74) CHRM4HDAC3HDAC4HDAC1HDAC7
SCHEMBL2963390 0.76 HSD11B1 (0.67) KMT2AMEN1CHRM4CYP1A2PKM
SCHEMBL2956976 0.76 KMT2A (0.65) KMT2AMEN1CHRM4CYP1A2SMN1; SMN2
SCHEMBL2959785 0.73 KMT2A (0.62) KMT2AMEN1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL10723724 0.72 CHRM4 (0.64) KMT2AMEN1CHRM4HDAC3HDAC4
SCHEMBL2961253 0.71 SMN1; SMN2 (0.66) KMT2AMEN1CHRM4SMN1; SMN2PKM
SCHEMBL2950381 0.71 MEN1 (0.60) KMT2AMEN1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL2961026 0.70 CHRM4 (0.62) KMT2ACHRM4CYP3A4TSHRSMN1; SMN2
SCHEMBL3210281 0.70 CHRM4 (0.59) CHRM4CYP3A4TSHRGBA1
SCHEMBL2959440 0.69 CHRM4 (0.66) KMT2AMEN1CHRM4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 KMT2A 3335/4885MEN1 2689/4885CHRM4 4346/4885

“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.