SCHEMBL12015828

SCHEMBL12015828

CC(C)c1ccc(S(=O)(=O)NCCN2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.52
▸ MBTD1 Q05BQ5 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ NMT1 P30419 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL12015830 0.88 SIGMAR1 (0.68) SIGMAR1MBTD1L3MBTL1ALDH1A1KDM4E
SCHEMBL12015826 0.86 SIGMAR1 (0.55) SIGMAR1MBTD1L3MBTL1ALDH1A1KDM4E
SCHEMBL12015827 0.84 PKM (0.65) SIGMAR1ALDH1A1PKMMAPK1KMT2A
SCHEMBL9152088 0.84 L3MBTL1 (0.63) SIGMAR1MBTD1L3MBTL1ALDH1A1MAPK1
SCHEMBL29172771 0.82 HTR7 (0.60) SIGMAR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6291984 0.80 SIGMAR1 (0.52) SIGMAR1MBTD1L3MBTL1ALDH1A1KDM4E
SCHEMBL12015817 0.80 LOX (0.53) ALDH1A1GAAMAPK1HTR6NMT1
SCHEMBL14132491 0.79 L3MBTL1 (0.71) SIGMAR1MBTD1L3MBTL1KMT2A
SCHEMBL9895010 0.78 HTR7 (0.65) ALDH1A1PKMHTR6
SCHEMBL12074406 0.77 MBTD1 (0.78) MBTD1L3MBTL1ALDH1A1ALOX15NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — 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 (3 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS SIGMAR1 2151/4885MBTD1 2247/4885L3MBTL1 3616/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS SIGMAR1 2151/4885MBTD1 2247/4885L3MBTL1 3616/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS SIGMAR1 2151/4885MBTD1 2247/4885L3MBTL1 3616/4885

“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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