SCHEMBL2960625

SCHEMBL2960625

O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.65
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ GAA P10253 1/20 0.58
▸ CHRM1 P11229 1/20 0.57
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 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
SCHEMBL2962429 0.89 MEN1 (0.62) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL2963614 0.85 CHRM1 (0.58) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL2954368 0.85 MEN1 (0.56) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL15101900 0.84 CHRM1 (0.82) LMNAALDH1A1CHRM1MAPT
SCHEMBL2953334 0.83 ALDH1A1 (0.56) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL2962776 0.81 KMT2A (0.64) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL2953603 0.80 MAPT (0.59) TSHRKMT2ALMNAMEN1ALDH1A1
SCHEMBL2960619 0.80 MEN1 (0.62) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL31684036 0.79 TSHR (1.00) TSHRKMT2ALMNAMEN1ALDH1A1
SCHEMBL493231 0.79 TSHR (1.00) TSHRKMT2ALMNAMEN1ALDH1A1

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 TSHR 3888/4885KMT2A 3335/4885LMNA 2965/4885

“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.

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