SCHEMBL21059232

SCHEMBL21059232

CCCCCOC(=O)Nc1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
NPC1 O15118 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
HPGD P15428 4/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 2/20 0.62
CASP1 P29466 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MCL1 Q07820 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 1/20 0.59
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
PKM P14618 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL21059213 0.98 RAB9A (0.61) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL21059160 0.95 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL12411578 0.90 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL21059153 0.89 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL7564852 0.87 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL21059194 0.86 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL12723978 0.86 TSHR (0.67) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL20302856 0.86 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL21059192 0.84 FAAH (0.63) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL21059214 0.84 NPC1 (0.62) RAB9ANPC1SMN1; SMN2HPGDMAPT

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 RAB9A 2467/4885NPC1 2799/4885SMN1; SMN2 3068/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 RAB9A 2467/4885NPC1 2799/4885SMN1; SMN2 3068/4885

“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.