SCHEMBL632026

SCHEMBL632026

Nc1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NLRP3 Q96P20 1/20 0.47
HRH1 P35367 1/20 0.46
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4093253 0.85 MAOA (0.52) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL3643464 0.85 MEN1 (0.47) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL5441304 0.82 MAOA (0.58) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL15891123 0.80 ALDH1A1 (0.39) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL15891114 0.80 ALDH1A1 (0.39) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL7774904 0.80 MAOA (0.56) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL31613229 0.80 MAOA (0.56) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL19990170 0.80 MAOA (0.56) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL27498655 0.79 L3MBTL1 (0.49) MAOBNPC1RAB9AMAPTALDH1A1
SCHEMBL10487337 0.78 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10226660-A None JP disclosed
JP-10218826-A None JP disclosed
JP-10182568-A None JP disclosed
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
CN-101528710-B Aminomethyl-4-imidazoles HOFFMANN LA ROCHE 2012-11-07 CN disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
JP-H10226660-A PRODUCTION OF 1-FLUORO-2-PHENOXY-4-(2-PROPENYL)BENZENE SUMITOMO CHEM CO LTD 1998-08-25 JP disclosed
JP-H10218826-A PRODUCTION OF 4-FLUORO-3-PHENOXYBROMOBENZENE SUMITOMO CHEM CO LTD 1998-08-18 JP disclosed
JP-H10182568-A 4-FLUORO-3-PHENOXYANILINE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1998-07-07 JP 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MAOA 148/4885MAOB 124/4885CYP1A2 212/4885

“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.