SCHEMBL12015817

SCHEMBL12015817

CC(C)c1ccc(S(=O)(=O)CCN2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 3/20 0.53
▸ HTR6 P50406 3/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM2B Q8NHM5 2/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL12015819 0.87 LOX (0.51) LOXMEN1KMT2AALDH1A1MAPK1
SCHEMBL12015821 0.85 HTR6 (0.49) HTR6MEN1KMT2AALDH1A1MAPK1
SCHEMBL12015818 0.83 KMT2A (0.67) MEN1KMT2AALDH1A1
SCHEMBL6245041 0.80 KMT2A (0.67) LOXHTR6MEN1KMT2ACHRM2
SCHEMBL12015828 0.80 SIGMAR1 (0.52) HTR6KMT2AALDH1A1MAPK1GAA
Hydrochloric Acid SCHEMBL2827786 0.79 KMT2A (0.65) LOXHTR6MEN1KMT2ACHRM2
SCHEMBL14490130 0.78 MEN1 (0.55) LOXMEN1KMT2AALDH1A1KDM2B
SCHEMBL14538078 0.75 ALDH1A1 (0.57) LOXHTR6MEN1KMT2AALDH1A1
SCHEMBL14501826 0.75 LOX (0.51) LOXHTR6MEN1KMT2AALDH1A1
SCHEMBL9976064 0.74 MAPT (0.68) HTR6MEN1KMT2ACHRM2CHRM1

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 LOX 1063/4885HTR6 407/4885MEN1 1802/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS LOX 1063/4885HTR6 407/4885MEN1 1802/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS LOX 1063/4885HTR6 407/4885MEN1 1802/4885

“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.

Send feedback