SCHEMBL2963574

SCHEMBL2963574

O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.65
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.60
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.57
TP53 P04637 1/20 0.57
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
GBA1 P04062 1/20 0.52
CNR1 P21554 1/20 0.51

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
SCHEMBL2960545 0.86 ALDH1A1 (0.75) HSD11B1KMT2AMEN1MAPTALDH1A1
SCHEMBL8564336 0.85 MEN1 (0.83) HSD11B1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3210396 0.83 HSD11B1 (0.72) HSD11B1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2952847 0.81 MAPT (0.71) HSD11B1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2961253 0.81 SMN1; SMN2 (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL2954359 0.81 KMT2A (0.59) HSD11B1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL15915961 0.80 SMN1; SMN2 (0.64) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL8891209 0.80 HTR3A (0.59) HSD11B1KMT2AMEN1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8901555 0.79 ALDH1A1 (0.57) HSD11B1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7216688 0.79 KMT2A (0.97) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 7/4885KMT2A 3335/4885MEN1 2689/4885

“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.