SCHEMBL2869701

SCHEMBL2869701

O=C(OCc1cccc(Cl)c1)c1snnc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
HCAR2 Q8TDS4 1/20 0.43
HTT P42858 1/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP3A4 P08684 2/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
NR4A2 P43354 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL574894 0.86 L3MBTL1 (0.42) MMP1MMP2MMP9MMP12ABCC8
SCHEMBL2862045 0.86 ABCC8 (0.50) ABCC8KCNJ11LMNAALDH1A1TSHR
SCHEMBL2857375 0.79 CASP3 (0.48) MMP1MMP2MMP9MMP12HTT
SCHEMBL2866383 0.76 SMN1; SMN2 (0.47) HTTABCC8KCNJ11KDM4EHPGD
SCHEMBL2873389 0.72 ALDH1A1 (0.48) HTTABCC8KCNJ11KDM4EL3MBTL1
SCHEMBL3233775 0.69 ABCC8 (0.43) ABCC8KCNJ11MAPT
SCHEMBL27577784 0.68 HCAR2 (0.64) MMP1MMP2MMP9MMP12HCAR2
SCHEMBL11535110 0.68 MAPT (0.64) HTTCYP3A4L3MBTL1LMNAMAPT
SCHEMBL2866681 0.68 MAPT (0.41) ABCC8KCNJ11HPGDLMNAMAPT
SCHEMBL18924216 0.67 TSHR (0.56) ABCC8KCNJ11LMNAMAPTALDH1A1

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 9 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 claimed
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 claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
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 claimed
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 claimed
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
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO 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 MMP1 3412/4885MMP2 4378/4885MMP9 4756/4885

“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.