SCHEMBL754753

SCHEMBL754753

O=CC(Br)Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
IDO1 P14902 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CPA1 P15085 1/20 0.38
LMNA P02545 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
DAO P14920 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
AGXT P21549 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL20504575 0.81 MME (0.41) IDO1TAAR1TP53TSHRPPARG
SCHEMBL10299126 0.79 PPARG (0.38) TP53TSHRPPARGPPARA
SCHEMBL3051234 0.79 SLC7A5 (0.46) TAAR1
SCHEMBL233264 0.78 EPHX1 (0.50) TAAR1MAOA
SCHEMBL8693276 0.78 TRPA1 (0.44) TRPA1IDO1LOXL2CPA1LMNA
SCHEMBL204959 0.75 TP53 (0.61) TRPA1IDO1LOXL2CPA1LMNA
SCHEMBL21439149 0.75 TP53 (0.61) TRPA1IDO1LOXL2CPA1LMNA
SCHEMBL2269305 0.75 LOXL2 (0.43) TRPA1IDO1LOXL2CPA1TAAR1
SCHEMBL12226226 0.75 TRPA1 (0.46) TRPA1IDO1LOXL2CPA1LMNA
SCHEMBL12809801 0.75 LOXL2 (0.43) TRPA1IDO1LOXL2CPA1TAAR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
WO-2010000031-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 WO disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (4 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-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF TPMT, DPYD, IMPDH1 TRPA1 2549/4885IDO1 158/4885LOXL2 4798/4885
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT TRPA1 4845/4885IDO1 78/4885LOXL2 2766/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TRPA1 4710/4885IDO1 94/4885LOXL2 3359/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TRPA1 4710/4885IDO1 94/4885LOXL2 3359/4885

“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.