SCHEMBL2963390

SCHEMBL2963390

O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.67
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPK1 P28482 1/20 0.54
CHRM4 P08173 2/20 0.52
GBA1 P04062 1/20 0.52
PKM P14618 1/20 0.51
POLB P06746 2/20 0.50
GRM5 P41594 1/20 0.50

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
SCHEMBL3218052 0.85 HSD11B1 (0.66) HSD11B1ALDH1A1CHRM4GBA1
SCHEMBL3213104 0.83 HSD11B1 (0.72) HSD11B1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL2956976 0.82 KMT2A (0.65) HSD11B1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL781659 0.81 CYP1A2 (0.87) HSD11B1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL3224518 0.81 HSD11B1 (0.65) HSD11B1ALDH1A1L3MBTL1CHRM4GBA1
SCHEMBL3213850 0.78 HSD11B1 (0.78) HSD11B1
SCHEMBL2961253 0.77 SMN1; SMN2 (0.66) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2949896 0.76 KMT2A (0.49) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL14334739 0.76 MAPT (0.78) HSD11B1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL6708175 0.75 CYP1A2 (1.00) HSD11B1CYP1A2CYP2C9CYP2C19LMNA

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 HSD11B1 7/4885CYP1A2 119/4885CYP2C9 261/4885

“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.