SCHEMBL4988091

SCHEMBL4988091

Cc1cc(SC(C)C)c([N+](=O)[O-])c(SC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 4/20 0.39
HASPIN Q8TF76 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 5/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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 0.76 MAPT (0.41) MAPTLMNAHTTKMT2AMEN1
SCHEMBL14093776 0.74 KDM4E (0.42) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL4989105 0.72 SMN1; SMN2 (0.50) MAPTLMNAHTTHASPINKDM4E
SCHEMBL4989273 0.71 KDM4E (0.47) MAPTLMNAHASPINKMT2AMEN1
SCHEMBL282648 0.66 TSHR (0.56) MAPTLMNAHTTKMT2AMEN1
SCHEMBL8809521 0.65 MAPT (0.40) MAPTLMNAHTTKMT2AMEN1
SCHEMBL4829285 0.65 MAPT (0.38) MAPTLMNAHTTKMT2AMEN1
SCHEMBL8811728 0.65 ALDH1A1 (0.44) MAPTLMNAHTTKMT2AMEN1
SCHEMBL4982583 0.64 RXFP1 (0.39) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL8814038 0.62 LMNA (0.43) MAPTLMNAHTTKMT2AMEN1

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-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 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-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 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 MAPT 1444/4885LMNA 4703/4885HTT 1812/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 MAPT 930/4885LMNA 4629/4885HTT 2029/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 MAPT 1164/4885LMNA 4085/4885HTT 3512/4885

“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.