SCHEMBL5889310

SCHEMBL5889310

CCCCOC(=O)C1CC(c2ccc(Br)cc2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.40
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL5889304 0.88 PPARG (0.46) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL1902454 0.68 MEN1 (0.43) HSD17B10MAPTALDH1A1KDM4EMEN1
SCHEMBL10603303 0.66 NPC1 (0.48) NPC1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL7823966 0.65 ALDH1A1 (0.45) HSD17B10MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2669695 0.65 CYP1A2 (0.54) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL5896648 0.64 L3MBTL1 (0.40) NPC1HSD17B10MAPK1L3MBTL1KDM4E
SCHEMBL7999502 0.64 ESR1 (0.72) SLC6A3NPC1LMNAMAPTALDH1A1
SCHEMBL14395035 0.64 NPC1 (0.64) NPC1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL11037027 0.63 ALDH1A1 (0.42) NPC1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL1298046 0.62 ALDH1A1 (0.54) LMNAALDH1A1MAPK1L3MBTL1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122506-B2 Cyclic imines as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2006-10-17 US disclosed
US-20040186287-A1 Cyclic imines as pesticides PLANT ANDREW (DE) 2004-09-23 US disclosed
EP-1080072-B1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-08-04 EP disclosed
US-6770595-B2 ACTIVITY AGAINST ARTHROPODS IN AGRICULTURE AND PARASITES ENCOUNTERED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
US-6599924-B1 2-hetaryl-3,4 dihydro-2H-pyrrole pesticide BAYER AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
EP-1306371-A1 Cyclic imines Bayer CropScience AG (DE) 2003-05-02 EP disclosed
EP-0942901-B1 CYCLIC IMINES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-03-05 EP disclosed
US-6489490-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-12-03 US disclosed
US-20020151571-A1 Cyclic imines as pesticides PLANT ANDREW (DE) 2002-10-17 US disclosed
US-6399771-B1 AGRICULTURE; VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
US-6274613-B1 APPLYING COMPOUNDS SUCH AS A GAMMA-ETHOXY-GAMMA-BUTYROLACTAM TO PESTS AND/OR THEIR HABITATS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-14 US disclosed
EP-0942901-A1 CYCLIC IMINES AS PESTICIDES BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998022438-A1 CYCLIC IMINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-28 WO 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 (2 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-20020151571-A1 Cyclic imines as pesticides DDT, CYP1A1, AR SLC6A3 2481/4885NPC1 3596/4885HSD17B10 2340/4885
US-20040186287-A1 Cyclic imines as pesticides DDT, CYP1A1, AR SLC6A3 2704/4885NPC1 3674/4885HSD17B10 2397/4885

“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.