SCHEMBL4990474

SCHEMBL4990474

CC(=O)NCc1ccn[c]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
ALOX15 P16050 1/20 0.39
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 1/20 0.36
VHL P40337 1/20 0.36
NOTUM Q6P988 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SETDB1 Q15047 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL18343422 0.70 NPSR1 (0.53) NPSR1ALOX15KMT2AALDH1A1HTT
SCHEMBL4995817 0.69 L3MBTL1 (0.42) ALOX15MAPTHTTKDM4EHSD17B10
SCHEMBL15415604 0.69 TSHR (0.41) NPSR1SMN1; SMN2L3MBTL1
SCHEMBL15926179 0.68 NPSR1 (1.00) NPSR1ALOX15KMT2AHDAC1HDAC6
SCHEMBL7249181 0.68 NPSR1 (0.50) NPSR1ALOX15KMT2AHDAC1HDAC6
SCHEMBL48805 0.68 SMN1; SMN2 (0.73) NPSR1ALOX15KMT2AALDH1A1RAB9A
SCHEMBL29393091 0.68 SMN1; SMN2 (0.73) NPSR1ALOX15KMT2AALDH1A1RAB9A
SCHEMBL8230937 0.67 NPSR1 (0.62) NPSR1ALOX15KMT2ANOTUMSMN1; SMN2
SCHEMBL5267984 0.66
SCHEMBL23048464 0.66 NPSR1 (0.56) NPSR1ALOX15KMT2AHDAC1HDAC6

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R NPSR1 306/4885ALOX15 38/4885KMT2A 3245/4885

“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.