SCHEMBL5865879

SCHEMBL5865879

CCCOC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPK1 P28482 2/20 0.67
HPGD P15428 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 2/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
CASP1 P29466 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MCL1 Q07820 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CHRNA7 P36544 1/20 0.52
EGFR P00533 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL7562459 0.91 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL7815282 0.90 RAB9A (0.68) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL21059103 0.89 RAB9A (0.62) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL21059222 0.87 NPC1 (0.61) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL1187780 0.86 HPGD (0.61) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL7562461 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL10192026 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL21059175 0.83 L3MBTL1 (0.68) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL21059153 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL2070195 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508473-B1 METHOD FOR PRODUCING CARBAMIC ACID ESTER AIST (JP) 2021-05-26 EP disclosed
US-10752579-B2 Production method of carbamic acid ester NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-08-25 US disclosed
EP-3508473-A1 METHOD FOR PRODUCING CARBAMIC ACID ESTER National Institute of Advanced Industrial Science and Technology (JP) 2019-07-10 EP disclosed
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-06-20 US disclosed
CN-109641835-A Method for producing carbamate 国立研究开发法人产业技术综合研究所 2019-04-16 CN disclosed
US-7074785-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-07-11 US disclosed
US-20060142369-A1 Delta 1-pyrrolines used as pesticides SEITZ THOMAS 2006-06-29 US disclosed
US-20050014650-A1 Delta 1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2005-01-20 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 (4 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-20060142369-A1 Delta 1-pyrrolines used as pesticides DDT, CHRM1, OPRD1 SMN1; SMN2 2977/4885ALDH1A1 385/4885MAPK1 2149/4885
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER CA2, CA7, CA4 SMN1; SMN2 3068/4885ALDH1A1 3215/4885MAPK1 3546/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 SMN1; SMN2 3068/4885ALDH1A1 3215/4885MAPK1 3546/4885
US-20050014650-A1 Delta 1-pyrrolines used as pesticides CHRM1, DDT, CHRND SMN1; SMN2 2621/4885ALDH1A1 435/4885MAPK1 1616/4885

“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.