SCHEMBL21059271

SCHEMBL21059271

O=C(Nc1ccccc1Br)OC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
FAAH O00519 1/20 0.53
MGLL Q99685 1/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 3/20 0.51
CHRM3 P20309 3/20 0.50
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL828801 0.85 CHRM3 (0.67) L3MBTL1HPGDNPC1CHRM3RAB9A
Hydrochloric Acid SCHEMBL828800 0.84 CHRM3 (0.66) L3MBTL1HPGDNPC1CHRM3RAB9A
SCHEMBL4014578 0.82 CHRM3 (0.57) CHRM3MAPTSMN1; SMN2LMNA
SCHEMBL21059184 0.82 NPC1 (0.58) L3MBTL1FAAHMGLLNPC1CHRM3
SCHEMBL21059239 0.82 FAAH (0.53) FAAHMGLLNPC1CHRM3RAB9A
SCHEMBL11123663 0.82 NPC1 (0.58) FAAHMGLLNPC1CHRM3RAB9A
SCHEMBL11125472 0.82 NPC1 (0.61) FAAHMGLLNPC1CHRM3RAB9A
SCHEMBL21059267 0.81 SMN1; SMN2 (0.68) L3MBTL1FAAHMGLLHPGDTDP1
SCHEMBL11193941 0.80 KMT2A (0.56) FAAHMGLLNPC1CHRM3RAB9A
SCHEMBL10652191 0.79 EPHX1 (0.60) FAAHMGLLHPGDNPC1RAB9A

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 L3MBTL1 3678/4885FAAH 2192/4885MGLL 2605/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 L3MBTL1 3678/4885FAAH 2192/4885MGLL 2605/4885

“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.