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SCHEMBL642152

SCHEMBL642152

CC(=O)N1CCC(Nc2ccccc2[S+]([O-])c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36

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
SCHEMBL5076698 0.79 MCHR1 (0.39) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL9965412 0.78 MLNR (0.47) KDM4ESMN1; SMN2NSD2KMT2AMAPK3
SCHEMBL10174382 0.78 MAPK3 (0.48) KDM4ESMN1; SMN2NSD2KMT2AMAPK3
SCHEMBL641860 0.76 NSD2 (0.51) KDM4ESMN1; SMN2NSD2KMT2AMAPK3
SCHEMBL641004 0.75 LMNA (0.65) KDM4ESMN1; SMN2NSD2KMT2AMAPK3
SCHEMBL643978 0.75 MAPT (0.48) KDM4ESMN1; SMN2NSD2KMT2AMAPK3
SCHEMBL9965449 0.75 KDM4E (0.51) KDM4ESMN1; SMN2NSD2KMT2AMAPK3
SCHEMBL30352893 0.73 EPHX2 (0.55) NSD2KMT2AALDH1A1HPGDMAPT
SCHEMBL10173975 0.72 MAPT (0.45) KDM4ESMN1; SMN2NSD2KMT2AMAPK3
SCHEMBL5149687 0.72 MAPT (0.45) KDM4ESMN1; SMN2NSD2KMT2AMAPK3

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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 — — EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 — — EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 — — US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 — — US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 — — US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 — — US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 — — US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 — — US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 — — WO 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 KDM4E 2751/4885SMN1; SMN2 3948/4885NSD2 1019/4885

“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.