SCHEMBL3886877

SCHEMBL3886877

CCCCCCN1C(=O)c2cccc3c(NCCN)ccc(c23)C1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.77
MEN1 O00255 4/20 0.77
MAPT P10636 3/20 0.77
HTT P42858 3/20 0.77
USP2 O75604 3/20 0.77
ATM Q13315 2/20 0.77
RGS12 O14924 1/20 0.77
POLB P06746 1/20 0.77
MAPK1 P28482 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
TLR9 Q9NR96 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
FGFR1 P11362 2/20 0.71
KDR P35968 2/20 0.71
PDGFRA P16234 1/20 0.71
HDAC1 Q13547 6/20 0.66
HDAC6 Q9UBN7 6/20 0.66
HDAC3 O15379 5/20 0.66
HDAC11 Q96DB2 5/20 0.66

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
SCHEMBL9386920 1.00 KMT2A (0.77) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1580102 0.95 KMT2A (0.84) KMT2AMEN1MAPTHTTUSP2
SCHEMBL8396375 0.92 KMT2A (0.86) KMT2AMEN1MAPTHTTUSP2
SCHEMBL8397978 0.92 KMT2A (0.86) KMT2AMEN1MAPTHTTUSP2
SCHEMBL7799818 0.92 KMT2A (0.86) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1505179 0.91 KMT2A (0.88) KMT2AMEN1MAPTHTTUSP2
SCHEMBL28087595 0.90 KMT2A (0.83) KMT2AMEN1MAPTHTTUSP2
SCHEMBL7523337 0.88 KMT2A (0.84) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1505189 0.87 MEN1 (0.70) KMT2AMEN1MAPTHTTUSP2
SCHEMBL29460431 0.87 KMT2A (1.00) KMT2AMEN1MAPTHTTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528144-B2 Molecules and methods for fluorescence microscopy WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-05-05 US disclosed
US-7528144-B2 Molecules and methods for fluorescence microscopy WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-05-05 US disclosed
US-20060205760-A1 MOLECULES AND METHODS FOR FLUORESCENCE MICROSCOPY WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-09-14 US 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-20060205760-A1 MOLECULES AND METHODS FOR FLUORESCENCE MICROSCOPY NR1H2, NCEH1, NR1H4 KMT2A 567/4885MEN1 303/4885MAPT 3751/4885

“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.