SCHEMBL514281

SCHEMBL514281

COC(=O)Nc1ccc(I)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9609808 0.89 SMN1; SMN2 (0.82) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL7251623 0.82 SMN1; SMN2 (0.72) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL513776 0.82 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMAPTCA12CA1
SCHEMBL514280 0.81 CA12 (0.45) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL9089286 0.80 RAB9A (0.61) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL718380 0.80 CYP17A1 (0.52) SMN1; SMN2CA12CA1CA9
SCHEMBL12996859 0.80 SMN1; SMN2 (0.67) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL17518815 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL514571 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL9089994 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
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
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP 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 (3 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 3068/4885HPGD 3008/4885MAPT 2148/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 SMN1; SMN2 4115/4885HPGD 3162/4885MAPT 4824/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 SMN1; SMN2 3068/4885HPGD 3008/4885MAPT 2148/4885

“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.