SCHEMBL6726307

SCHEMBL6726307

CN(C)CCCN1C=C/C(=C\C=C\C=C\c2sc3ccccc3[n+]2C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
HTT P42858 7/20 0.42
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 6/20 0.42
MAPK1 P28482 4/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NSD2 O96028 2/20 0.42
INSR P06213 1/20 0.39
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
THRB P10828 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
BLM P54132 4/20 0.37
NPC1 O15118 7/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
USP2 O75604 2/20 0.37
PKM P14618 2/20 0.37

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
SCHEMBL26845359 0.88 MEN1 (0.51) RAB9AHTTMAPTNPSR1MAPK1
SCHEMBL3934125 0.87 RAB9A (0.38) RAB9AHTTMAPTNPSR1MAPK1
SCHEMBL26392086 0.87 RAB9A (0.38) RAB9AHTTMAPTNPSR1MAPK1
SCHEMBL3934123 0.87 RAB9A (0.38) RAB9AHTTMAPTNPSR1MAPK1
SCHEMBL26845472 0.87 RAB9A (0.42) RAB9AHTTMAPTNPSR1MAPK1
Iodide SCHEMBL5918651 0.86 MEN1 (0.38) RAB9AHTTMAPTNPSR1MAPK1
SCHEMBL13525403 0.86 KMT2A (0.40) RAB9AHTTMAPTNPSR1MAPK1
Iodide SCHEMBL27997113 0.86 RAB9A (0.37) RAB9AHTTMAPTNPSR1MAPK1
Iodide SCHEMBL3662105 0.85 MAPT (0.39) RAB9AHTTMAPTNPSR1MAPK1
Iodide SCHEMBL17350237 0.85 MAPT (0.39) RAB9AHTTMAPTNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154555-A1 NANOCOMPOSITIONS FOR MONITORING POLYMERASE CHAIN REACTION (PCR) THE GENERAL HOSPITAL CORPORATION (US) 2012-11-15 WO disclosed
US-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2012-05-17 US disclosed
WO-2010141833-A2 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2010-12-09 WO 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-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE CASP3, CASP7, CD47 RAB9A 3713/4885HTT 3381/4885MAPT 2110/4885

“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.