SCHEMBL6298933

SCHEMBL6298933

COC(=O)c1ccc2c(ccn2-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
VCAM1 P19320 1/20 0.46
MAPT P10636 6/20 0.45
GAA P10253 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTK2 Q05397 1/20 0.45
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL28312597 0.83 RXRA (0.46) MAPTLMNASMN1; SMN2HTTKDM4E
SCHEMBL7513251 0.82 PTK2 (0.44) KMT2AMEN1MAPTGAALMNA
SCHEMBL31525521 0.81 HPGD (0.45) KMT2AMEN1MAPTGAAHTT
SCHEMBL17067714 0.80 HSP90AA1 (0.46) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL3975054 0.78 FGFR1 (0.60) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL15712326 0.78 TDP1 (0.43) KMT2AMEN1MAPTAKR1C4AKR1C3
SCHEMBL6796990 0.78 MAPT (0.49) KMT2AMEN1MAPTGAAAKR1C4
SCHEMBL6298250 0.77 MAPK1 (0.46) KMT2AMEN1MAPTGAALMNA
SCHEMBL30411927 0.76 ALDH1A1 (0.44) KMT2ALMNASMN1; SMN2PTK2HTT
SCHEMBL5661381 0.76 ALDH1A1 (0.44) KMT2ALMNASMN1; SMN2PTK2HTT

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-6933390-B2 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate WARNER-LAMBERT COMPANY (US) 2005-08-23 US disclosed
US-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate BARTH HUBERT (DE) 2004-12-09 US disclosed
US-6774242-B1 REACTING WITH INDOLE IN APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-08-10 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-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate AZI2, KCNH1, CA7 KMT2A 1072/4885MEN1 2906/4885VCAM1 4420/4885

“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.