SCHEMBL5267218

SCHEMBL5267218

CSc1cc(C)nc(SC)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
HTT P42858 6/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8809521 0.81 MAPT (0.40) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL8811728 0.81 ALDH1A1 (0.44) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL4829285 0.81 MAPT (0.38) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL8814038 0.79 LMNA (0.43) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL8808441 0.79 ALDH1A1 (0.38) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL4988091 0.76 MAPT (0.39) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL4989105 0.76 SMN1; SMN2 (0.50) MAPTHTTLMNAALDH1A1NPC1
SCHEMBL4983375 0.75 ALDH1A1 (0.38) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL4829348 0.72 S1PR4 (0.39) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL14093773 0.71 MEN1 (0.46) MAPTHTTLMNAALDH1A1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP disclosed
EP-0609960-B1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER (US) 1999-03-03 EP disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
US-5596001-A 4-aryl-3-(heteroarylureido)quinoline derivatves PFIZER INC. (US) 1997-01-21 US disclosed
US-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 US disclosed
US-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed
EP-0590094-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1994-04-06 EP disclosed
WO-1992019614-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1992-11-12 WO disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP 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 (2 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-20080045714-A1 Method for Producing Cyclic Diamine Derivative SAT1, ACAT2, NAT1 MAPT 767/4885HTT 1507/4885LMNA 3999/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT MAPT 4009/4885HTT 373/4885LMNA 4773/4885

“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.