SCHEMBL18609182

SCHEMBL18609182

Cc1ccc(-c2nnn(C(C)C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MGLL Q99685 1/20 0.44
MAPK1 P28482 3/20 0.44
LTA4H P09960 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8267758 0.84 NPC1 (0.56) NPSR1RAB9ANPC1KMT2AMGLL
SCHEMBL401804 0.84 NPC1 (0.52) NPSR1RAB9ANPC1MEN1HTT
SCHEMBL18609314 0.84 LMNA (0.54) NPSR1RAB9ANPC1HTTMAPK1
SCHEMBL3232677 0.84 NPC1 (0.49) NPSR1RAB9ANPC1KMT2AMAPK1
SCHEMBL4413921 0.83 RAB9A (0.55) NPSR1RAB9ANPC1MEN1KMT2A
SCHEMBL18590275 0.82 NPC1 (0.48) NPSR1RAB9ANPC1HTTMAPK1
SCHEMBL23709510 0.81 NPC1 (0.47) NPSR1RAB9ANPC1HTTMAPK1
SCHEMBL7919192 0.81 SMN1; SMN2 (0.60) NPSR1RAB9ANPC1TDP1MGLL
SCHEMBL21774267 0.80 NPC1 (0.46) NPSR1RAB9ANPC1HTTMAPK1
SCHEMBL13863837 0.80 ALDH1A1 (0.55) NPSR1RAB9ANPC1LTA4HCYP2D6

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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 NPSR1 3933/4885RAB9A 566/4885NPC1 1136/4885

“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.