SCHEMBL2864481

SCHEMBL2864481

CN(N=Cc1ccccc1)C(=O)c1snnc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
PDE4D Q08499 2/20 0.37
PDE2A O00408 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL2868672 0.76 MEN1 (0.66) MEN1KMT2AABCC8KCNJ11ALDH1A1
SCHEMBL2866592 0.76 MEN1 (0.66) MEN1KMT2AABCC8KCNJ11ALDH1A1
SCHEMBL3260729 0.73 ABCC8 (0.43) MEN1KMT2AABCC8KCNJ11ATM
SCHEMBL2860777 0.67 ABCC8 (0.42) ABCC8KCNJ11ALDH1A1LMNANPSR1
SCHEMBL2872524 0.67 ABCC8 (0.58) MEN1KMT2AABCC8KCNJ11HDAC8
SCHEMBL3265907 0.66 MAPT (0.36) MEN1KMT2AABCC8KCNJ11ATM
Hydrochloric Acid SCHEMBL2870045 0.66 ABCC8 (0.41) ABCC8KCNJ11ALDH1A1
SCHEMBL7922702 0.65 PDE4D (0.48) MEN1KMT2APDE4DPDE2AHDAC8
SCHEMBL12852307 0.62 SMN1; SMN2 (0.50) MEN1KMT2AABCC8KCNJ11ALDH1A1
SCHEMBL3441600 0.61 HTT (0.42) MEN1KMT2APDE4DPDE2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852428-B1 4-CYCLOPROPYL-1,2,3-THIADIAZOLE COMPOUND, AGROHORTICULTURAL PLANT DISEASE CONTROLLING AGENT AND METHOD OF USING THE SAME NIHON NOHYAKU CO LTD (JP) 2012-05-16 EP disclosed
US-7786040-B2 4-cyclopropyl-1,2,3,-thiadiazole compound, agrohorticultural plant disease controlling agent and method of using the same NIHON NOHYAKU CO., LTD. (JP) 2010-08-31 US disclosed
US-20080200457-A1 4-Cyclopropyl-1,2,3,-Thiadiazole Compound, Agrohorticultural Plant Disease Controlling Agent And Method Of Using The Same NIHON NOHYAKU CO., LTD. (JP) 2008-08-21 US disclosed
EP-1852428-A1 4-CYCLOPROPYL-1,2,3-THIADIAZOLE COMPOUND, AGROHORTICULTURAL PLANT DISEASE CONTROLLING AGENT AND METHOD OF USING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2007-11-07 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 (1 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-20080200457-A1 4-Cyclopropyl-1,2,3,-Thiadiazole Compound, Agrohorticultural Plant Disease Controlling Agent And Method Of Using The Same CBR3, CBR1, OSR1 MEN1 3761/4885KMT2A 2053/4885ABCC8 1005/4885

“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.