SCHEMBL4634857

SCHEMBL4634857

Nc1c(Cl)cc(Cl)c(C(F)(F)F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.42
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRNB2 P17787 1/20 0.32
CYP2B6 P20813 1/20 0.32
MAOA P21397 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3379043 0.83 NOTUM (0.39) NOTUMCYP3A4ALDH1A1HTR3AADRB2
SCHEMBL9628149 0.78 CYP3A4 (0.50) NOTUMCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL2704425 0.77 NOTUM (0.32) NOTUMCYP3A4ALDH1A1
SCHEMBL204055 0.77 AR (0.36) NOTUMCYP3A4ALDH1A1
SCHEMBL2593530 0.74 CYP3A4 (0.56) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL27431435 0.74 ALDH1A1 (0.36) NOTUMCYP3A4ALDH1A1ADRB2ADRB1
SCHEMBL25014091 0.73 CYP3A4 (0.50) NOTUMCYP3A4ALDH1A1CA1CA2
SCHEMBL10616182 0.73 ALDH1A1 (0.39) NOTUMCYP3A4ALDH1A1HTR3ACA1
SCHEMBL28503380 0.72 NOTUM (0.34) NOTUM
SCHEMBL24118121 0.72 NOTUM (0.34) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100396661-C Preparation of fluorinated anilines BAYER CHEMICALS AG (DE) 2008-06-25 CN disclosed
EP-1524261-B1 Process for preparing fluorinated anilines SALTIGO GMBH (DE) 2008-06-11 EP disclosed
US-7154006-B2 Preparation of fluorinated anilines BAYER AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
CN-1636965-A Preparation of fluorinated anilines BAYER CHEMICALS AG (DE) 2005-07-13 CN disclosed
US-20050101795-A1 Preparation of fluorinated anilines BAYER CHEMICALS AG 2005-05-12 US disclosed
EP-1524261-A1 Process for preparing fluorinated anilines Bayer Chemicals AG (DE) 2005-04-20 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 (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-20050101795-A1 Preparation of fluorinated anilines FLNA, FLNB, FLI1 NOTUM 197/4885CYP3A4 38/4885ALDH1A1 559/4885

“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.