SCHEMBL2862045

SCHEMBL2862045

O=C(OCc1ccccc1)c1snnc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
NMT1 P30419 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 3/20 0.41
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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 0.87 L3MBTL1 (0.42) ABCC8KCNJ11KMT2AALDH1A1LMNA
SCHEMBL2869701 0.86 MMP1 (0.46) ABCC8KCNJ11TSHRALDH1A1LMNA
SCHEMBL2866383 0.84 SMN1; SMN2 (0.47) ABCC8KCNJ11KMT2ARAB9ASMN1; SMN2
SCHEMBL2857375 0.83 CASP3 (0.48) ABCC8KCNJ11TDP1KMT2ARAB9A
SCHEMBL18924216 0.78 TSHR (0.56) ABCC8KCNJ11TDP1KMT2ASLC6A2
SCHEMBL2873389 0.77 ALDH1A1 (0.48) ABCC8KCNJ11KMT2ARAB9ASMN1; SMN2
SCHEMBL2872524 0.76 ABCC8 (0.58) ABCC8KCNJ11KMT2ATSHRNMT1
SCHEMBL2867253 0.76 ABCC8 (0.50) ABCC8KCNJ11TDP1KMT2ASLC6A2
SCHEMBL2869134 0.71 LMNA (0.61) ABCC8KCNJ11KMT2ARAB9ASMN1; SMN2
SCHEMBL2859816 0.71 MAPK1 (0.48) RAB9ATSHRALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ABCC8 1005/4885KCNJ11 1207/4885TDP1 2390/4885

“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.