SCHEMBL16684229

SCHEMBL16684229

Cc1ccc(/N=N/c2ccc(N)c(C)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.63
RAB9A P51151 7/20 0.63
MAPT P10636 7/20 0.63
MAPK1 P28482 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
PKM P14618 1/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 9/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
CYP3A4 P08684 4/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 2/20 0.62
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
BLM P54132 1/20 0.49
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL11647594 0.91 TDP1 (0.71) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL2487414 0.91 TDP1 (0.71) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL11648754 0.88 TDP1 (0.62) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL11648752 0.88 TDP1 (0.62) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL29848589 0.88 TDP1 (0.62) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL9818179 0.86 TDP1 (0.71) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL9818181 0.86 TDP1 (0.71) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL11411728 0.84 TDP1 (0.59) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL10598727 0.84 CYP3A4 (0.59) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL10598728 0.84 CYP3A4 (0.59) NPC1RAB9AMAPTMAPK1L3MBTL1

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
CN-108273478-A A kind of formaldehyde removing composition and product 李怀玉 2018-07-13 CN disclosed
US-20150119356-A1 Ophthalmic Viscoelastic Device CARL ZEISS MEDITEC AG (DE) 2015-04-30 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-20150119356-A1 Ophthalmic Viscoelastic Device UACA, ICAM1, VIM NPC1 4214/4885RAB9A 3139/4885MAPT 499/4885

“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.