SCHEMBL2879229

SCHEMBL2879229

O=C(NSC(Cl)(Cl)Cl)C1CC=CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MIF P14174 1/20 0.31

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
SCHEMBL9497798 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL19974223 0.75 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL9005236 0.73 HDAC8 (0.48) MEN1KMT2AALDH1A1MAPTHTT
Cyclohexene SCHEMBL11229986 0.71 GRM4 (0.43) ALDH1A1
SCHEMBL6965651 0.71 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL2128104 0.71 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL31299205 0.71 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL2879227 0.70 GRM4 (0.49) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9493278 0.70 GRM4 (0.49) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9493282 0.70 GRM4 (0.49) MEN1KMT2AALDH1A1MAPTTDP1

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-20060159772-A1 Fungicidal compositions ISAGRO S.P.A. (IT) 2006-07-20 US claimed
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
CN-101128445-B 4-cyclopropyl-1,2,3-thiadiazole derivative, agrohorticultural plant disease controlling agent, and method for using the same NIHON NOHYAKU CO LTD 2012-01-18 CN 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-20100009853-A1 PARASITIC PLANT CONTROL AGENT AND USE THEREOF NIHON NOHYAKU CO., LTD (JP) 2010-01-14 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
US-20060159772-A1 Fungicidal compositions ISAGRO S.P.A. (IT) 2006-07-20 US disclosed
EP-1175834-A1 METHOD OF THE UTILIZATION OF BACTERICIDAL COMPOSITION Nihon Nohyaku Co., Ltd. (JP) 2002-01-30 EP disclosed
EP-0301613-B1 THIAZOLE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-07-10 EP disclosed
US-4889863-A NONPHYTOTOXIC; SEEDS, SOILS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-12-26 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 (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 2053/4885ALDH1A1 1998/4885

“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.