SCHEMBL2854976

SCHEMBL2854976

COc1ccc(-c2nc3ccc(N)c(-c4ccc(N)cc4)c3nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.44
RAD51 Q06609 1/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 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
SCHEMBL2868251 0.85 MAPT (0.50) ALDH1A1TDP1LMNAKDM4ENPSR1
SCHEMBL2857745 0.84 TDP1 (0.44) ALDH1A1TDP1LMNAKDM4ENPSR1
SCHEMBL27658392 0.82 KMT2A (0.54) ALDH1A1TDP1LMNAKDM4ENPSR1
SCHEMBL2865549 0.77 KDM4E (0.61) ALDH1A1TDP1LMNAKDM4ENPSR1
SCHEMBL12076733 0.76 KMT2A (0.62) ALDH1A1TDP1LMNAKDM4ENPSR1
SCHEMBL6387970 0.76 KMT2A (0.51) ALDH1A1TDP1LMNAKDM4EL3MBTL1
SCHEMBL6047030 0.75 KCNH2 (0.41) ALDH1A1LMNAKDM4EKMT2ANPC1
SCHEMBL2854973 0.73 DHFR (0.51) ALDH1A1TDP1LMNAKDM4ENPSR1
SCHEMBL28724319 0.73 TDP1 (0.54) ALDH1A1TDP1KDM4ENPC1TP53
SCHEMBL12964202 0.71 KMT2A (0.73) ALDH1A1TDP1LMNAKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713101-B1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME UNIV YAMAGUCHI (JP) 2012-10-31 EP disclosed
US-7803898-B2 Aminoquinoxaline compound, polyaminoquinoxaline compound, and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-28 US disclosed
US-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
EP-1713101-A1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME Yamaguchi University (JP) 2006-10-18 EP disclosed
EP-1705178-A1 AMINOQUINOXALINE COMPOUND, POLYAMINOQUINOXALINE COMPOUND, AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-09-27 EP 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-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof PAM, CYC1, QPCT ALDH1A1 2049/4885TDP1 1592/4885LMNA 462/4885

“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.