SCHEMBL6470593

SCHEMBL6470593

COc1cccc2c(C)nc(Nc3nc(OC(=O)C(F)(F)F)c4cc([N+](=O)[O-])cc(C)c4n3)nc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CREBBP Q92793 1/20 0.35
ABCG2 Q9UNQ0 5/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
ANO2 Q9NQ90 1/20 0.34
MEN1 O00255 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 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
SCHEMBL6467089 0.88 KMT2A (0.33) GAAKMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL6466111 0.87 ABCG2 (0.41) POLBKMT2AALDH1A1PKMABCG2
Trifluoroacetic Acid SCHEMBL6470592 0.86 POLB (0.38) POLBGAATNKSTNKS2PARP2
SCHEMBL6468647 0.83 ABCG2 (0.38) POLBGAAKMT2AALDH1A1PKM
SCHEMBL6468047 0.81 POLB (0.38) POLBGAAKMT2AALDH1A1PKM
SCHEMBL6470326 0.80 POLB (0.37) POLBGAAKMT2AALDH1A1PKM
SCHEMBL6467457 0.79 ALDH1A1 (0.36) POLBGAAKMT2AALDH1A1PKM
SCHEMBL6470135 0.79 KMT2A (0.34) GAAKMT2AALDH1A1LMNAMAPT
SCHEMBL6470556 0.78 POLB (0.42) POLBGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL6468693 0.78 ADORA2A (0.38) POLBGAAKMT2AALDH1A1PKM

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 POLB 3/4885GAA 232/4885TNKS 112/4885

“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.