SCHEMBL7145804

SCHEMBL7145804

C=C(C)C(=O)NCCCc1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
KMT2A Q03164 2/20 0.34
TACR1 P25103 2/20 0.33
ESRRG P62508 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
DYRK1A Q13627 1/20 0.31
NAMPT P43490 1/20 0.31
ASAH1 Q13510 2/20 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
SCHEMBL7145809 0.87 GAA (0.47) GAAKMT2ATACR1ESRRGMEN1
SCHEMBL3949046 0.85 MTNR1A (0.38) TACR1ESRRGRAB9ASMN1; SMN2FAAH
SCHEMBL3884142 0.85 GAA (0.32) GAA
SCHEMBL13715026 0.83 GAA (0.38) GAAKMT2AMEN1SMN1; SMN2MAOA
SCHEMBL2639325 0.83 ALDH1A1 (0.34) GAAKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL7144790 0.82 KDM4E (0.32) GAA
SCHEMBL2641087 0.81 GAA (0.38) GAAKMT2AMEN1SMN1; SMN2MAOA
SCHEMBL5693423 0.81 ALOX5 (0.30) GAASMN1; SMN2
SCHEMBL2637886 0.81 ALDH1A1 (0.35) GAAKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL768820 0.81 GAA (0.41) GAAKMT2AMEN1SMN1; SMN2MAOA

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
US-6515051-B2 Stability and durability and a low loss rate when incorporated into automotive coatings; soluble in a variety of substrates including thermoplastic polymers and often are colorless CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-04 US disclosed
US-6458872-B1 FOR USE IN AUTOMOTIVE COATINGS, THERMOPLASTIC FORMULATIONS CIBA SPECIALTY CHEMICALS CORPORATION 2002-10-01 US disclosed
US-20020099221-A1 Benzotriazole UV absorbers having enhanced durability RAVICHANDRAN RAMANATHAN (US) 2002-07-25 US disclosed
US-20020065341-A1 Benzotriazole UV absorbers having enhanced durability RAVICHANDRAN RAMANATHAN (US) 2002-05-30 US disclosed
US-6262151-B1 FOR AUTOMOTIVE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-17 US disclosed
US-6166218-A Benzotriazole UV absorbers having enhanced durability CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-26 US 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 (2 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-20020099221-A1 Benzotriazole UV absorbers having enhanced durability TERT, AHR, ARNT GAA 4343/4885KMT2A 77/4885TACR1 4565/4885
US-20020065341-A1 Benzotriazole UV absorbers having enhanced durability TERT, AHR, ARNT GAA 4343/4885KMT2A 77/4885TACR1 4565/4885

“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.