SCHEMBL2959409

SCHEMBL2959409

O=S(=O)(c1ccccc1F)N1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 3/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.56
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 2/20 0.53
PKLR P30613 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL2962710 0.85 POLB (0.67) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL12088955 0.83 GCK (0.59) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2960619 0.82 MEN1 (0.62) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL2962429 0.82 MEN1 (0.62) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2963614 0.82 CHRM1 (0.58) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16145 0.81 GCK (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14489596 0.81 TSHR (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2959776 0.81 POLB (0.63) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3343329 0.80 PKM (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL20145597 0.80 TSHR (0.75) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1

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 2689/4885ALDH1A1 82/4885

“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.