SCHEMBL21059239

SCHEMBL21059239

O=C(Nc1ccccc1I)OC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
MGLL Q99685 1/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
CHRM3 P20309 5/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
EPHX1 P07099 2/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL11125472 0.82 NPC1 (0.61) FAAHMGLLCHRM3NPC1RAB9A
SCHEMBL11123663 0.82 NPC1 (0.58) FAAHMGLLCHRM3NPC1RAB9A
SCHEMBL21059184 0.82 NPC1 (0.58) FAAHMGLLHDAC1HDAC2HDAC3
SCHEMBL21059271 0.82 L3MBTL1 (0.53) FAAHMGLLHDAC1HDAC2HDAC3
SCHEMBL21059267 0.81 SMN1; SMN2 (0.68) FAAHMGLLKMT2ASMN1; SMN2
SCHEMBL11193941 0.80 KMT2A (0.56) FAAHMGLLHDAC1HDAC2HDAC3
SCHEMBL10652191 0.79 EPHX1 (0.60) FAAHMGLLHDAC1HDAC2HDAC3
SCHEMBL10015123 0.79 CHRM3 (0.76) FAAHMGLLCHRM3
SCHEMBL21059209 0.78 MEN1 (0.53) FAAHMGLLHDAC1HDAC2HDAC3
SCHEMBL2576912 0.78 FAAH (0.76) FAAHMGLLNPC1RAB9AMEN1

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 FAAH 2192/4885MGLL 2605/4885HDAC1 245/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 FAAH 2192/4885MGLL 2605/4885HDAC1 245/4885

“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.