SCHEMBL6674437

SCHEMBL6674437

COCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
LMNA P02545 1/20 0.53
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
RECQL P46063 1/20 0.52
CYP1A2 P05177 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
ACHE P22303 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
PYCR1 P32322 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1934513 0.85 TSHR (0.54) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL1520674 0.85 TSHR (0.57) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL18165912 0.85 TSHR (0.57) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL28344488 0.85 HTR1A (0.54) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL1027225 0.83 TSHR (0.51) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL4688326 0.83 MAOB (0.53) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL791926 0.82 TSHR (0.62) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL680656 0.82 TSHR (0.62) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL30041959 0.82 TSHR (0.54) TSHRLMNACYP2C19CYP2D6CYP2C9
SCHEMBL8260909 0.82 TSHR (0.54) TSHRLMNACYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736904-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB Science (FR) 2014-06-04 EP disclosed
WO-2013014170-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2013-01-31 WO disclosed
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 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 (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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 TSHR 4551/4885LMNA 4583/4885CYP2C19 532/4885

“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.