SCHEMBL6168732

SCHEMBL6168732

Cc1cccc(-c2[nH]nnc2-c2ccc3c(c2)NC(=O)CO3)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPT P10636 12/20 0.50
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 3/20 0.48
NR3C2 P08235 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP12 P39900 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6167811 0.83 KMT2A (0.55) KMT2AMAPTKDM4EALDH1A1RAB9A
SCHEMBL6168320 0.81 TGFBR1 (0.44) MAPTALDH1A1
SCHEMBL6757634 0.81 TGFBR1 (0.67) KMT2AMAPTKDM4EALDH1A1RAB9A
SCHEMBL6621746 0.81 POLB (0.52) KMT2AMAPTKDM4EALDH1A1RAB9A
SCHEMBL6169245 0.80 PDE3B (0.46)
SCHEMBL6168835 0.79 MAPT (0.53) KMT2AMAPTKDM4EALDH1A1RAB9A
SCHEMBL6169255 0.78 HTT (0.48)
SCHEMBL411631 0.78 TGFBR1 (0.46) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL6170719 0.76 HTT (0.58)
SCHEMBL6175922 0.76 TGFBR1 (0.39)

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-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US claimed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP claimed
WO-2003097639-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 WO claimed
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US disclosed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP disclosed
WO-2003097639-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 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-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles ACVR1, TGFBR1, SMAD3 KMT2A 3214/4885MAPT 1751/4885KDM4E 702/4885

“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.