SCHEMBL2988880

SCHEMBL2988880

NC(=O)CCn1nnc2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL1845784 0.87 KMT2A (0.70) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL2996057 0.85 MEN1 (0.63) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL4873292 0.81 KMT2A (1.00) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL874199 0.81 KDM4E (0.70) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL3380663 0.79 KDM4E (0.74) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL10919578 0.79 KMT2A (0.82) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL17950740 0.79 MEN1 (0.68) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL379507 0.78 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL15203552 0.78 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL18787411 0.78 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection SIGA TECHNOLOGIES, INC. 2010-07-29 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-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection EIF2AK2, HAVCR2, SNRPE KMT2A 3347/4885MEN1 3401/4885ALDH1A1 2072/4885

“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.