SCHEMBL4025464

SCHEMBL4025464

FC(F)(F)c1cccc(-c2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.60
CTSS P25774 1/20 0.54
IDO1 P14902 1/20 0.53
KMO O15229 2/20 0.52
GRM5 P41594 1/20 0.51
MAOB P27338 2/20 0.50
KDM1A O60341 1/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
SCN2A Q99250 2/20 0.49
CBFB Q13951 1/20 0.49

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
SCHEMBL29979429 1.00 TGFBR1 (0.60) TGFBR1CTSSIDO1KMOGRM5
SCHEMBL4033214 0.98 TGFBR1 (0.59) TGFBR1CTSSIDO1KMOGRM5
SCHEMBL13878868 0.85 MAPK1 (0.52) TGFBR1GRM5L3MBTL1LMNACBFB
SCHEMBL30090584 0.85 NPC1 (0.52) TGFBR1GRM5KDM1AL3MBTL1LMNA
SCHEMBL4577045 0.85 NPC1 (0.52) TGFBR1GRM5KDM1AL3MBTL1LMNA
SCHEMBL14073533 0.85 TRPV1 (0.53) TGFBR1GRM5CBFBSMN1; SMN2TRPV1
SCHEMBL4404606 0.82 KIF11 (0.56) TGFBR1CTSSGRM5ALDH1A1L3MBTL1
SCHEMBL30153625 0.82 KIF11 (0.56) TGFBR1CTSSGRM5ALDH1A1L3MBTL1
SCHEMBL9874816 0.81 CTSK (0.51) TGFBR1CTSSIDO1KMOGRM5
SCHEMBL502867 0.80 KDM4E (0.62) GRM5ALDH1A1L3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160354-A Method for efficiently synthesizing aryl silicon compound 南阳师范学院 2022-10-11 CN claimed
CN-111875641-B Preparation method and application of trifluoromethyl modified platinum complex 大连理工大学 2021-10-15 CN claimed
CN-111875641-A Preparation method and application of trifluoromethyl modified platinum complex 大连理工大学 2020-11-03 CN claimed
CN-117430549-A Method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source 南开大学 2024-01-23 CN disclosed
US-20230365606-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230357296-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-09 US disclosed
US-20230348509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-20230348510-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-20230345811-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20030144487-A1 Photoactive lanthanide complexes with phosphine oxides, phosphine oxide-sulfides, pyridine N-oxides, and phosphine oxide-pyridine N-oxides, and devices made with such complexes E. I. DU PONT DE NEMOURS AND COMPANY 2003-07-31 US disclosed
EP-0929219-B1 SOLID MIXTURES OF 3-ISOPROPYL1-2,1,3-BENZOTHIADIAZIN-4-ON-2,2-DIOXIDE SALTS BASF AG (DE) 2003-04-09 EP disclosed
US-20030040627-A1 Luminescent organometallic compound and light emitting device SANYO ELECTRIC CO., LTD. (JP) 2003-02-27 US disclosed
US-20020064681-A1 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2002-05-30 US disclosed
EP-1191613-A2 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2002-03-27 EP disclosed
US-6218337-B1 Solid mixtures of 3-isopropyl-2,1,3-benzothiadiazin-4-one-2,2,-dioxide or its salts BASF AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
EP-0929219-A1 SOLID MIXTURES OF 3-ISOPROPYL1-2,1,3-BENZOTHIADIAZIN-4-ON-2,2-DIOXIDE OR ITS SALTS BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998012922-A1 SOLID MIXTURES OF 3-ISOPROPYL1-2,1,3-BENZOTHIADIAZIN-4-ON-2,2-DIOXIDE OR ITS SALTS BASF AKTIENGESELLSCHAFT (DE) 1998-04-02 WO disclosed
EP-0220053-A2 Benzimidazoles, benzoxazoles, benzothiazoles and their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1987-04-29 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 (9 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-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OPRD1, OCIAD2 TGFBR1 933/4885CTSS 1543/4885IDO1 2412/4885
US-20230357296-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRD1, OXER1, LBR TGFBR1 898/4885CTSS 1368/4885IDO1 3623/4885
US-20030040627-A1 Luminescent organometallic compound and light emitting device IK, CRY1, LBR TGFBR1 2354/4885CTSS 4356/4885IDO1 1095/4885
US-20230348510-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OXER1, OXSR1 TGFBR1 209/4885CTSS 1907/4885IDO1 3733/4885
US-20230348509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, OCIAD1, LBR TGFBR1 1015/4885CTSS 1731/4885IDO1 1761/4885
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, ROS1 TGFBR1 735/4885CTSS 2141/4885IDO1 3667/4885
US-20230365606-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, OPRD1, OXSR1 TGFBR1 1586/4885CTSS 1654/4885IDO1 3099/4885
US-20020064681-A1 Luminescence device, display apparatus and metal coordination compound CDYL, ZC3HAV1L, ICOSLG TGFBR1 2327/4885CTSS 2902/4885IDO1 410/4885
US-20230345811-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRD1, L1CAM, OPRM1 TGFBR1 1273/4885CTSS 3803/4885IDO1 1719/4885

“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.