SCHEMBL4496515

SCHEMBL4496515

O=S(=O)(NCc1ccnc2cc(F)ccc12)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.46
▸ NAMPT P43490 1/20 0.43
▸ EGFR P00533 2/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ FERMT2 Q96AC1 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL4515544 0.85 CYP19A1 (0.46) CYP19A1EGFRERBB2MEN1ALDH1A1
SCHEMBL4508326 0.82 CYP19A1 (0.50) CYP19A1MEN1ALDH1A1PKMKMT2A
SCHEMBL4513829 0.77 CYP19A1 (0.48) CYP19A1NAMPTMEN1ALDH1A1PKM
SCHEMBL14334121 0.75 CYP19A1 (0.48) CYP19A1NAMPTCA1CA2CA9
SCHEMBL3258403 0.74 NPY1R (0.42) NAMPTPKM
SCHEMBL4514444 0.74 CYP19A1 (0.44) CYP19A1MEN1ALDH1A1KMT2ATP53
SCHEMBL858018 0.72 NEK1 (0.53) CYP19A1CA1CA2CA9MEN1
SCHEMBL4498319 0.72 CYP19A1 (0.48) CYP19A1NAMPTEGFRMEN1ALDH1A1
SCHEMBL3255593 0.71 KDM4E (0.46) EGFRALDH1A1KMT2A
SCHEMBL14333772 0.71 SMN1; SMN2 (0.53) CA1CA2CA9MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029855-A1 Quinoline Derivatives and Their Use as Pesticides BASF SE (DE) 2009-01-29 — — US disclosed
EP-2007727-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2008-12-31 — — EP disclosed
WO-2007104726-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2007-09-20 — — WO 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-20090029855-A1 Quinoline Derivatives and Their Use as Pesticides CBR3, HCRTR1, HCAR3 CYP19A1 1573/4885NAMPT 4638/4885EGFR 3108/4885

“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.

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