SCHEMBL3249773

SCHEMBL3249773

O=[C]NC(F)(F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTPN1 P18031 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
KCNN4 O15554 3/20 0.34
HTT P42858 3/20 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
SCHEMBL3246877 0.77 TSHR (0.44) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL2074396 0.76 KCNN4 (0.48) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL6399480 0.75 TSHR (0.52) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL1549012 0.73 HDAC3 (0.45) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6170218 0.73 KCNN4 (0.44) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL3114470 0.73 HDAC3 (0.45) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3246081 0.73 TSHR (0.44) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL3237952 0.72 KCNN4 (0.37) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3665471 0.70 HDAC3 (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL874380 0.69 TSHR (0.50) TSHRALDH1A1PTPN1CA1CA2

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
EP-4249077-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME Shionogi & Co., Ltd (JP) 2023-09-27 EP disclosed
US-20230278960-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME SHIONOGI & CO., LTD. (JP) 2023-09-07 US disclosed
CN-111386276-B Stereoselective process for preparing substituted polycyclic pyridone derivatives 盐野义制药株式会社 2023-06-23 CN disclosed
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2023-02-09 US disclosed
EP-3693373-A1 METHOD FOR STEREOSELECTIVELY PRODUCING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2020-08-12 EP disclosed
US-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2020-08-06 US disclosed
CN-111386276-A Stereoselective process for preparing substituted polycyclic pyridone derivatives 盐野义制药株式会社 2020-07-07 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, ENDOD1 TSHR 3217/4885ALDH1A1 1645/4885PTPN1 3799/4885
US-20230278960-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME ATL3, CBR3, CLIC1 TSHR 762/4885ALDH1A1 1673/4885PTPN1 3493/4885
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, RNASEL TSHR 3169/4885ALDH1A1 1711/4885PTPN1 3780/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 TSHR 2306/4885ALDH1A1 874/4885PTPN1 2354/4885

“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.