SCHEMBL4744776

SCHEMBL4744776

COC(=O)c1cncc(Oc2ncccc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 8/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
LTA4H P09960 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
SCHEMBL4742091 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL4912887 0.82 MAPT (0.48) KMT2AMEN1ALDH1A1ATMPOLB
SCHEMBL4741739 0.81 ALDH1A1 (0.48) ALDH1A1ATMTDP1CYP2C9
SCHEMBL4745636 0.79 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1NPC1ATM
SCHEMBL6382282 0.78 SIRT2 (0.43) KMT2AMEN1ALDH1A1NPC1ATM
SCHEMBL7368692 0.76 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2885990 0.76 MAPT (0.56) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL4745745 0.75 CYP11B1 (0.45) ALDH1A1ATMPOLBGAAMAPT
SCHEMBL4743662 0.74 HSPB1 (0.51) KMT2AMEN1ALDH1A1RAB9APOLB
Acetic Acid SCHEMBL4766209 0.74 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 KMT2A 2789/4885MEN1 2447/4885ALDH1A1 2573/4885

“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.