SCHEMBL19449451

SCHEMBL19449451

CC(C)n1nnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TOP2A P11388 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
MERTK Q12866 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NSD3 Q9BZ95 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL12377267 0.77 NPC1 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP2C19PDE1A
SCHEMBL19926353 0.76 KMT2A (0.49) NSD3KMT2A
SCHEMBL822713 0.75 KEAP1 (0.45) SMN1; SMN2ALDH1A1TOP2ANPC1RAB9A
SCHEMBL14113346 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL8659186 0.72 NPC1 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL22732889 0.71 TOP2A (0.59) SMN1; SMN2ALDH1A1CYP1A2CYP2C19TOP2A
SCHEMBL23400977 0.71 HTR2A (0.46) HTR2AHTR2CHTR2BPDE1APDE1B
SCHEMBL458167 0.71 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL19454799 0.70 SLC9A1 (0.50) TOP2AHTR2AHTR2CHTR2BL3MBTL1
SCHEMBL22732883 0.70 TOP2A (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP2C19TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 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 (2 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE SMN1; SMN2 3429/4885ALDH1A1 923/4885CYP1A2 2350/4885
US-10028938-B2 Antiviral agents and uses thereof RNASE1, ENTPD5, ACE SMN1; SMN2 3429/4885ALDH1A1 923/4885CYP1A2 2350/4885

“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.