SCHEMBL6470129

SCHEMBL6470129

COc1ccc([N+](=O)[O-])c2c(C)nc(Nc3nc(OC(=O)C(F)(F)F)c4ccccc4n3)nc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.38
KMT2A Q03164 7/20 0.37
MEN1 O00255 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
ABCB1 P08183 1/20 0.33
ABCC1 P33527 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
SCHEMBL6469411 0.90 KMT2A (0.41) KMT2AMEN1MAPTLMNAL3MBTL1
Trifluoroacetic Acid SCHEMBL6470125 0.86 ABCG2 (0.41) ABCG2KMT2AMEN1MAPTLMNA
SCHEMBL6470303 0.84 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6468647 0.81 ABCG2 (0.38) ABCG2KMT2AMEN1MAPTLMNA
SCHEMBL6469516 0.81 KMT2A (0.42) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL6467882 0.79 ACHE (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL6467879 0.76 KMT2A (0.45) ABCG2KMT2AMEN1MAPTLMNA
SCHEMBL6469269 0.76 POLB (0.37) POLB
SCHEMBL6467985 0.75 POLB (0.41) KMT2AMEN1ALDH1A1POLB
SCHEMBL6469501 0.75 ABCG2 (0.38) ABCG2KMT2AMEN1MAPTALDH1A1

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 1526/4885KMT2A 2156/4885MEN1 4218/4885

“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.