Cyclopropane

Cyclopropane

SCHEMBL3519699

C1CC1.Cc1ccccc1NC(=N)NC(=N)N.Cc1ccccc1NC(=N)NC(=N)N

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.50
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2B Q13224 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
POLB P06746 3/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
PABPC1 P11940 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
EBP Q15125 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 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
SCHEMBL38790 0.95 POLB (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL15513356 0.93 POLB (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ethylene SCHEMBL25203709 0.92 POLB (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28899516 0.87 POLB (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3283894 0.84 NPC1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3068904 0.82 GAA (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6212986 0.81 POLB (0.70) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1743272 0.81 MAPT (0.48) POLBNPC1RAB9ATSHRKMT2A
SCHEMBL29518429 0.81 MAPT (0.48) POLBNPC1RAB9ATSHRKMT2A
SCHEMBL9453411 0.81 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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-8580549-B2 Esterases for separating plastics HENKEL KGAA (DE) 2013-11-12 US disclosed
US-20100330013-A1 AMADORIASES IN WASHING AND CLEANING PRODUCTS HENKEL AG & CO. KGAA (DE) 2010-12-30 US disclosed
US-20090275493-A1 Novel Alkaline Protease from Bacillus Gibsonii and Washing and Cleaning Agents containing said Novel Alkaline Protease HENKEL AG & CO. KGAA (DE) 2009-11-05 US disclosed
US-20090258406-A1 Use of esterases for separating plastics HENKEL KGAA (DE) 2009-10-15 US disclosed
US-20090238889-A1 Hyper-Branched Polymers for the Provision of Hygienic Characteristics HENKEL AG & CO. KGAA (DE) 2009-09-24 US disclosed
US-7510859-B2 Subtilisin variants with improved perhydrolase activity HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2009-03-31 US disclosed
US-20070128129-A1 ENZYMATIC BLEACHING SYSTEM HENKEL AG & CO. KGAA (DE) 2007-06-07 US disclosed
US-20050282261-A1 Novel choline oxidases HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 US disclosed
US-20050281773-A1 Subtilisin variants with improved perhydrolase activity HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 US disclosed
US-20050205574-A1 Water-soluble portion packaging with a filling HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-09-22 US disclosed
US-6569344-B1 Fabrics; water soluble wetting agent and a salt THE PROCTER & GAMBLE COMPANY 2003-05-27 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 (5 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-20050281773-A1 Subtilisin variants with improved perhydrolase activity DPEP1, HPN, DAO SIGMAR1 3204/4885GRIN2D 4296/4885GRIN3B 2753/4885
US-20090275493-A1 Novel Alkaline Protease from Bacillus Gibsonii and Washing and Cleaning Agents containing said Novel Alkaline Protease PRSS2, CPB2, GBA3 SIGMAR1 4514/4885GRIN2D 3254/4885GRIN3B 3024/4885
US-20070128129-A1 ENZYMATIC BLEACHING SYSTEM LPO, HAO2, APEH SIGMAR1 1612/4885GRIN2D 3965/4885GRIN3B 3913/4885
US-20100330013-A1 AMADORIASES IN WASHING AND CLEANING PRODUCTS ALPI, POLR1C, ZAP70 SIGMAR1 4279/4885GRIN2D 4168/4885GRIN3B 3995/4885
US-20090238889-A1 Hyper-Branched Polymers for the Provision of Hygienic Characteristics CD44, PCNA, ITGB3 SIGMAR1 553/4885GRIN2D 1103/4885GRIN3B 1194/4885

“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.