SCHEMBL4983375

SCHEMBL4983375

CSc1nc(C)nc(SC)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GABBR2 O75899 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
PKM P14618 2/20 0.34
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HASPIN Q8TF76 1/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL5267218 0.75 MAPT (0.41) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL8811728 0.74 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL8809521 0.74 MAPT (0.40) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL15222159 0.74 MAPT (0.34) ALDH1A1TDP1KMT2AMEN1GABBR2
SCHEMBL8170040 0.73 PKM (0.42) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL8814038 0.72 LMNA (0.43) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL1123974 0.70 MAPT (0.39) ALDH1A1TDP1LMNAMAPTPKM
SCHEMBL596867 0.70 TDP1 (0.38) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL27930543 0.70 PKM (0.44) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL9124996 0.70 ALDH1A1 (0.38) ALDH1A1TDP1KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 EP disclosed
US-5397781-A Pyrimidine derivatives MOCHIDA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-03-14 US disclosed
EP-0561175-A1 Pyrimidine derivatives and pharmaceutical compostions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-09-22 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 (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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 ALDH1A1 1256/4885TDP1 4774/4885KMT2A 1001/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 ALDH1A1 1410/4885TDP1 4618/4885KMT2A 1172/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 ALDH1A1 307/4885TDP1 2615/4885KMT2A 433/4885

“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.