SCHEMBL21059262

SCHEMBL21059262

CCCCOC(=O)Nc1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.66
CYP1A2 P05177 4/20 0.66
CYP2C19 P33261 4/20 0.66
ALDH1A1 P00352 5/20 0.57
RAB9A P51151 8/20 0.51
HPGD P15428 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 7/20 0.50
CASP1 P29466 1/20 0.50
NFKB1 P19838 1/20 0.50
STAT1 P42224 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
MCL1 Q07820 1/20 0.50
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL21059102 0.95 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL21059220 0.94 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL21059252 0.91 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL1188292 0.84 ALDH1A1 (0.62) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL7378894 0.83 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL10884104 0.83 RAB9A (0.56) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL13506223 0.83 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL3867996 0.83 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL2089172 0.82 BCHE (0.49) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL29546879 0.82 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A

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
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

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-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER CA2, CA7, CA4 SMN1; SMN2 3068/4885CYP1A2 926/4885CYP2C19 697/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 SMN1; SMN2 3068/4885CYP1A2 926/4885CYP2C19 697/4885

“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.