SCHEMBL714435

SCHEMBL714435

O=C(NN=CC=Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.70
RAB9A P51151 7/20 0.59
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAOB P27338 1/20 0.54

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
SCHEMBL714433 1.00 POLB (0.70) POLBRAB9ANPSR1HTTNPC1
SCHEMBL27439916 0.83 RAB9A (0.61) POLBRAB9ANPSR1HTTNPC1
SCHEMBL713083 0.80 RAB9A (0.79) POLBRAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL713085 0.80 RAB9A (0.79) POLBRAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL9369584 0.79 RAB9A (0.64) POLBRAB9ANPSR1HTTNPC1
SCHEMBL9369589 0.79 RAB9A (0.64) POLBRAB9ANPSR1HTTNPC1
Phenylethenylsemicarbazone SCHEMBL30109086 0.79 POLB (0.71) POLBRAB9ANPSR1HTTNPC1
SCHEMBL9369580 0.79 RAB9A (0.64) POLBRAB9ANPSR1HTTNPC1
SCHEMBL9374574 0.78 MAPT (0.81) POLBRAB9ANPSR1HTTNPC1
SCHEMBL711312 0.78 MAPT (0.81) POLBRAB9ANPSR1HTTNPC1

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
US-8124578-B2 Use of dynamic mixtures for a controlled release of fragrances FIRMENICH SA (CH) 2012-02-28 US disclosed
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES UNIVERSITE LOUIS PASTEUR (FR) 2007-06-21 US disclosed
US-4199359-A Photographic screen stencil printing process XEROX CORPORATION (US) 1980-04-22 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-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES TRPA1, HCN1, HCN4 POLB 3457/4885RAB9A 3745/4885NPSR1 708/4885

“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.