SCHEMBL5633423

SCHEMBL5633423

COc1ccc(N(F)F)c(Br)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.33
HTR1A P08908 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NFE2L2 Q16236 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL18190983 0.85 TUBB1 (0.33) TUBB1ALDH1A1L3MBTL1NFE2L2LMNA
SCHEMBL27665453 0.82 TUBB1 (0.35) TUBB1HTR1ANFE2L2LMNAMAPK1
SCHEMBL10578058 0.78 TUBB1 (0.35) TUBB1HTR1AALDH1A1NFE2L2LMNA
SCHEMBL27759581 0.78 TUBB1 (0.33) TUBB1HTR1ANFE2L2LMNAMAPK1
SCHEMBL27553534 0.77 CYP17A1 (0.35) TUBB1HTR1AALDH1A1NFE2L2LMNA
SCHEMBL30630190 0.75 TUBB1 (0.40) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL30315940 0.75 TUBB1 (0.40) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL31467061 0.74 MAPT (0.37) TUBB1HTR1ALMNAMAPK1HTT
SCHEMBL27268416 0.74 TUBB1 (0.33) TUBB1HTR1ANFE2L2LMNAMAPK1
SCHEMBL5631630 0.74

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
CN-115974705-A Preparation method of 2-bromo-4-trifluoromethoxyaniline 阜新睿光氟化学有限公司 2023-04-18 CN disclosed
CN-102491910-A Method for synthesizing 2,6-dibromo-4-(trifluoromethoxy) aniline by water-phase method YANCHENG LIMIN CHEMICAL CO LTD 2012-06-13 CN disclosed
CN-102498096-A Indole derivatives or pharmaceutically acceptable salts thereof KISSEI PHARMACEUTICAL 2012-06-13 CN disclosed
CN-100575334-C The 2-dialkylamino alkylbiphenyl derivatives that replaces GRUENENTHAL GMBH 2009-12-30 CN disclosed
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
CN-1800145-A Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2006-07-12 CN disclosed
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
CN-1245376-C Substituted 2-Dialkylaminoalkylbiphenyl Derivatives GRUENTHAL GMBH (DE) 2006-03-15 CN disclosed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
CN-1379755-A Substituted 2-Dialkylaminoalkylbiphenyl Derivatives GRUENTHAL GMBH (DE) 2002-11-13 CN disclosed
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 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 (1 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-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, HTR2A, HTR5A TUBB1 2998/4885HTR1A 7/4885ALDH1A1 881/4885

“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.