SCHEMBL6468647

SCHEMBL6468647

COc1cc2c(C)nc(Nc3nc(OC(=O)C(F)(F)F)c4cccc(OC)c4n3)nc2cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.38
GAA P10253 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 3/20 0.34
AGTR1 P30556 1/20 0.34
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 1/20 0.33
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6466280 0.87 KMT2A (0.37) ABCG2GAAMAPTALDH1A1KDM4E
SCHEMBL6468599 0.86 ADORA2A (0.37) ABCG2MAPTALDH1A1KMT2APKM
Trifluoroacetic Acid SCHEMBL6468645 0.86 ABCG2 (0.38) ABCG2GAAMAPTALDH1A1LMNA
SCHEMBL6469862 0.85 KMT2A (0.35) ABCG2GAAMAPTALDH1A1KDM4E
SCHEMBL6468661 0.84 BRAF (0.39) EGFR
SCHEMBL6468667 0.83 TP53 (0.40) ABCG2GAAMAPTKMT2AMEN1
SCHEMBL6467193 0.83 ABCG2 (0.40) ABCG2GAAMAPTNPSR1KMT2A
SCHEMBL6470593 0.83 POLB (0.37) ABCG2GAAMAPTALDH1A1LMNA
SCHEMBL6467457 0.82 ALDH1A1 (0.36) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL6470129 0.81 ABCG2 (0.38) ABCG2MAPTALDH1A1LMNAL3MBTL1

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
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB ABCG2 1526/4885GAA 232/4885MAPT 3552/4885

“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.